# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-16T14:20:44+02:00 # Query: # SELECT data.* # FROM # data JOIN jaltnames # ON altname = journal # WHERE # (status is null or status != 'retracted') and # (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1000030","3.8203","0.00008","3.88548","0.0001","11.68349","0.00023","90","","90","","90","","173.4","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.9 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Williams, A; Kwei, G H; Dreele, R B von; Larson, A C; Raistrick, I D; Bish, D L","Joint X-ray and neutron refinement of the structure of superconducting YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters, strain and cation disorder","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1988","37","","7960","7962","10.1103/PhysRevB.37.7960","","","","","","0.0524","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006058","5.49","0.01","5.49","0.01","12.17","0.02","90","","90","","90","","366.8","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide","","- Ni O4 Pr2 -","- Ni O4 Pr2 -","- Ni4 O16 Pr8 -","4","0.25","","Fernandez-Diaz, M T; Martinez, J L; Rodriguez-Carvajal, J; Beille, J; Martinez, B; Obradors, X; Odier, P","Metamagnetism in single-crystal Pr2NiO4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","","5834","5840","10.1103/PhysRevB.47.5834","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1006139","5.3473","0.0005","5.4554","0.0005","12.275","0.001","90","","90","","90.782","0.005","358","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Neodymium strontium nickel oxide (1.8/0.2/1/3.7)","","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd7.2 Ni4 O14.8 Sr0.8 -","4","0.5","","Medarde, M; Rodriguez-Carvajal, J; Vallet-Regi, M; Gonzalez-Calbet, J M; Alonso, J","Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- type nickelate with monoclinic symmetry and ordered oxygen vacancies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1994","49","13","8591","8599","10.1103/PhysRevB.49.8591","","","","","","0.0116","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1006140","5.3578","0.0005","5.4394","0.0005","12.25","0.002","90","","90","","90.788","0.006","357","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Neodymium strontium nickel oxide (1.8/0.2/1/3.7)","","- Nd1.8 Ni O3.72 Sr0.2 -","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd7.2 Ni4 O14.8 Sr0.8 -","4","0.5","","Medarde, M; Rodriguez-Carvajal, J; Vallet-Regi, M; Gonzalez-Calbet, J M; Alonso, J","Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- type nickelate with monoclinic symmetry and ordered oxygen vacancies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1994","49","13","8591","8599","10.1103/PhysRevB.49.8591","","","","","","0.0116","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1006141","5.5367","0.0001","5.7473","0.0001","7.6929","0.0002","90","","90","","90","","244.8","","","","298","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0898","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00","" "1006142","5.552","0.0002","5.7269","0.0002","7.7365","0.0002","90","","90","","90","","246","","","","573","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0104","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00","" "1006143","5.5817","0.0003","5.5834","0.0002","7.8896","0.0004","90","","90","","90","","245.9","","","","798","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0113","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00","" "1008351","3.825","0.0001","3.8864","0.0001","11.6945","0.0004","90","","90","","90","","173.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Dibarium yttrium copper oxide (2/1/3/6.8)","","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.1007","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008352","3.8174","0.0001","3.8804","0.0001","11.652","0.0003","90","","90","","90","","172.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/6.8)","","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.0868","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008353","3.8198","0.0001","3.8849","0.0001","11.6762","0.0003","90","","90","","90","","173.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008354","3.8126","0.0001","3.8804","0.0001","11.6333","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.0862","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008440","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008441","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008442","4.082","0.003","16.98","0.03","4.004","0.003","90","","90","","90","","277.5","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008443","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008444","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008529","8.775","0.001","8.775","0.001","12.641","0.001","90","","90","","120","","843","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008530","8.771","0.001","8.771","0.001","12.629","0.001","90","","90","","120","","841.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008531","8.817","0.001","8.817","0.001","12.692","0.001","90","","90","","120","","854.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008634","7.1226","0.0001","7.1226","0.0001","66.2","0.1","90","","90","","90","","3358.4","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium iron boride (19/68/68)","","- B68 Fe68 Nd19 -","- B68 Fe68 Nd19 -","- B136 Fe136 Nd38 -","2","0.25","","Bezinge, A; Yvon, K; Braun, H F; Muller, J; Nissen, H U","Nd~1+e~ Fe~4~ B~4~: A composition-modulated compound with incommensurate composite crystal structure.","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","1406","1414","10.1103/PhysRevB.36.1406","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008649","3.8184","0.0003","3.8857","0.0002","11.701","0.001","90","","90","","90","","173.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.877 Y -","- Ba2 Cu3 O6.877 Y -","- Ba2 Cu3 O6.877 Y -","1","0.125","","Sullivan, J D; Bordet, P; Marezio, M; Takenaka, K; Uchida, S","Electron-density Fourier maps of an untwinned YBa~2~Cu~3~O~6.877~ single crystal by x-ray-diffraction data","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","14","10638","10641","10.1103/PhysRevB.48.10638","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008857","3.8764","0.0004","3.8764","0.0004","11.624","0.001","90","","90","","90","","174.7","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/2.8/7)","","- Ba2 Cu2.78 O7 Y -","- Ba2 Cu2.787 O7 Y -","- Ba2 Cu2.787 O7 Y -","1","0.0625","","Bordet, P; Chaillout, C; Fournier, T; Marezio, M; Kaldis, E; Karpinski, J; Jilek, E","Evidence by x-ray diffraction for two apical oxygen sites in a copper- deficient Y Ba2 Cu2.78 O7 crystal","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","6","3465","3468","10.1103/PhysRevB.47.3465","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008863","3.85159","0.00003","3.85159","","15.7644","0.0004","90","","90","","90","","233.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008864","3.8089","0.0003","3.8089","0.0003","15.4","0.004","90","","90","","90","","223.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008865","3.7608","0.0006","3.7608","0.0006","15.018","0.007","90","","90","","90","","212.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008952","9.974","0.001","3.476","0.002","15.592","0.002","90","","109.4","0.1","90","","509.9","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","van Smaalen, S; de Boer, J L; Meetsma, A; Graafsma, H; Sheu, H-S; Darovskikh, A; Coppens, P; Levy, F","Determination of the structural distortions corresponding to the q1- and q2- -type modulations in niobium triselenide Nb Se3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","6","3103","3106","10.1103/PhysRevB.45.3103","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1200019","2.49","","2.49","","4.144","","90","","90","","120","","22.3","","","","","","","","","","","","","1","P 63 m c","P 6c -2c","186","","Carbon","Lonsdaleite","- C -","- C -","- C4 -","4","0.333333","","Yeh, C; Lu, Z W; Froyen, S; Zunger, A","Zinc-blende-Wurtzite polytypism in semiconductors","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","46","16","10086","10097","10.1103/PhysRevB.46.10086","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1501463","4.7402","","4.7402","","26.0028","","90","","90","","120","","505.992","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe7 Mo6 -","- Fe7 Mo6 -","- Fe21 Mo18 -","3","0.0833333","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501464","4.6594","","4.6594","","7.7433","","90","","90","","120","","145.585","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Mo -","- Fe2 Mo -","- Fe8 Mo4 -","4","0.166667","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501465","5.373","","5.373","","8.847","","90","","90","","120","","221.187","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tc2 Y -","- Tc2 Y -","- Tc8 Y4 -","4","0.166667","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501466","5.2185","","5.2185","","8.6527","","90","","90","","120","","204.067","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tc2 Zr -","- Tc2 Zr -","- Tc8 Zr4 -","4","0.166667","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501467","5.63","","5.63","","12.867","","90","","90","","90","","407.844","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- K O4 Tc -","- K O4 Tc -","- K4 O16 Tc4 -","4","0.25","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501468","5.758","","5.758","","13.54","","90","","90","","90","","448.913","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- O4 Rb Tc -","- O4 Rb Tc -","- O16 Rb4 Tc4 -","4","0.25","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1501475","4.0055","0.0009","3.9897","0.0008","4.0426","0.0008","90","","90.19","0.02","90","","64.6","0.02","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501476","3.996","0.0001","3.996","0.0001","4.0492","0.0002","90","","90","","90","","64.658","0.004","","","300","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501477","3.9948","0.0001","3.9948","0.0001","4.0513","0.0002","90","","90","","90","","64.652","0.004","","","275","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501478","3.9938","0.0001","3.9938","0.0001","4.0532","0.0002","90","","90","","90","","64.65","0.004","","","245","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501479","4.001","0.0001","4.001","0.0001","4.0411","0.0002","90","","90","","90","","64.69","0.004","","","350","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501480","4.0024","0.0001","4.0024","0.0001","4.0393","0.0001","90","","90","","90","","64.706","0.003","","","375","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501481","4.0083","0.0002","4.0083","0.0002","4.029","0.0002","90","","90","","90","","64.732","0.006","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501482","4.0108","0.0001","4.0108","0.0001","4.0237","0.0002","90","","90","","90","","64.727","0.004","","","445","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501483","4.0054","0.0006","3.9896","0.0005","4.0452","0.0006","90","","90.23","0.01","90","","64.642","0.016","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501484","4.005","0.0002","3.9851","0.0002","4.0475","0.0002","90","","90.241","0.004","90","","64.599","0.006","","","150","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501485","4.0022","0.0002","3.9838","0.0002","4.0503","0.0002","90","","90.252","0.004","90","","64.577","0.006","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501486","4.0152","0.0001","4.0152","0.0001","4.0152","0.0001","90","","90","","90","","64.732","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501487","4.0157","0.0001","4.0157","0.0001","4.0157","0.0001","90","","90","","90","","64.757","0.003","","","530","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501488","4.0191","0.0001","4.0191","0.0001","4.0191","0.0001","90","","90","","90","","64.921","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501489","4.0189","0.0001","4.0189","0.0001","4.0189","0.0001","90","","90","","90","","64.911","0.003","","","455","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501490","4.0159","0.0001","4.0159","0.0001","4.0249","0.0002","90","","90","","90","","64.911","0.004","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501491","4.0134","0.0001","4.0134","0.0001","4.0301","0.0002","90","","90","","90","","64.914","0.004","","","400","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501492","4.0121","0.0001","4.0121","0.0001","4.0322","0.0002","90","","90","","90","","64.906","0.004","","","390","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501493","4.019","0.0002","4.0078","0.0002","4.0276","0.0002","90","","90.128","0.006","90","","64.874","0.006","","","340","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501494","4.02","0.0003","4.0046","0.0002","4.0281","0.0003","90","","90.178","0.005","90","","64.846","0.008","","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501495","4.0204","0.0004","3.9997","0.0002","4.0289","0.0004","90","","90.241","0.004","90","","64.786","0.01","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501496","4.022","0.0004","3.9946","0.0002","4.0314","0.0004","90","","90.314","0.005","90","","64.769","0.01","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501497","4.0215","0.0001","4.0215","0.0001","4.0215","0.0001","90","","90","","90","","65.038","0.003","","","550","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501498","4.0211","0.0001","4.0211","0.0001","4.0211","0.0001","90","","90","","90","","65.018","0.003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501499","4.0206","0.0001","4.0206","0.0001","4.0206","0.0001","90","","90","","90","","64.994","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501500","4.0166","0.0001","4.0166","0.0001","4.0287","0.0002","90","","90","","90","","64.995","0.004","","","415","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501501","5.6968","0.0003","5.682","0.0004","4.0132","0.0003","90","","90.125","0.008","90","","129.904","0.015","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501502","5.7025","0.0003","5.6778","0.0003","4.0087","0.0002","90","","90.24","0.006","90","","129.791","0.012","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501503","5.7022","0.0003","5.6815","0.0004","4.0167","0.0003","90","","90.248","0.005","90","","130.128","0.015","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501504","5.6987","0.0005","5.687","0.006","4.0211","0.0004","90","","90.135","0.008","90","","130.32","0.14","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501505","5.6969","0.0006","5.6889","0.0005","4.0215","0.0001","90","","90.109","0.001","90","","130.333","0.018","","","350","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501506","5.6952","0.0006","5.6903","0.0008","4.022","0.0001","90","","90.083","0.001","90","","130.34","0.02","","","375","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501507","4.0242","0.0001","4.0242","0.0001","4.0242","0.0001","90","","90","","90","","65.169","0.003","","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501508","4.0244","0.0001","4.0244","0.0001","4.0244","0.0001","90","","90","","90","","65.178","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501509","4.02545","0.00001","4.02545","0.00001","4.02545","0.00001","90","","90","","90","","65.2294","0.0003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501510","3.992","0","3.992","0","4.0516","0.0001","90","","90","","90","","64.5666","0.0016","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","18","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501511","4.0183","0.0002","4.0046","0.0001","4.0276","0.0002","90","","90.146","0.003","90","","64.811","0.005","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501512","5.6951","0.0002","5.6813","0.0002","4.0138","0.0001","90","","90.136","0.003","90","","129.868","0.007","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501513","5.6841","0.0001","5.6841","0.0001","6.98","0.0001","90","","90","","120","","195.303","0.006","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- Mg0.247 Nb0.493 O3 Pb Ti0.26 -","- Mg0.247 Nb0.493 O3 Pb Ti0.26 -","- Mg0.741 Nb1.479 O9 Pb3 Ti0.78 -","3","0.166667","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1501514","5.6921","0.0001","5.6921","0.0001","6.9882","0.0002","90","","90","","120","","196.083","0.007","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- Mg0.267 Nb0.533 O3 Pb Ti0.2 -","- Mg0.267 Nb0.533 O3 Pb Ti0.2 -","- Mg0.801 Nb1.599 O9 Pb3 Ti0.6 -","3","0.166667","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1504313","11.9996","0.0023","5.4711","0.001","9.2156","0.0018","90","","90","","90","","605","0.2","","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1504314","11.88345","0.00024","5.41411","0.0001","9.14086","0.0002","90","","90","","90","","588.11","0.02","","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","0.132","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1508503","5.38641","0.00016","5.38641","0.00016","13.1907","0.0006","90","","90","","120","","331.43","0.02","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum Aluminate","","- Al La O3 -","- Al La O3 -","- Al6 La6 O18 -","6","0.166667","","Hayward, S.A.; Morrison, F.D.; Redfern, S.A.T.; Salje, E.K.H.; Scott, J.F.; Knight, K.S.; Tarantino, S.; Glazer, A.M.; Shuvaeva, V.; Daniel, P.; Zhang, M.; Carpenter, M.A.","Transformation processes in LaAlO3: neutron diffraction, dielectric, thermal, optical and Raman studies","Physical Review B","2005","72","5","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "1508973","4.3553","","4.3553","","11.276","","90","","90","","120","","185.234","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Silver indium antimony telluride (0.034/0.037/0.764/0.165)","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.204 In0.222 Sb4.584 Te0.99 -","6","0.166667","","Matsunaga, T.; Umetami, Y.; Yamada, N.","Structural study of a Ag3.4 In3.7 Sb76.4 Te16.5 quadruple compound utilized for phase-change optical disks","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","184116","","10.1103/PhysRevB.64.184116","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509007","3.355","","3.355","","14.31","","90","","90","","120","","139.494","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Silver niobium sulfide (0.6/1/2)","","- Ag0.6 Nb S2 -","- Ag0.6 Nb S2 -","- Ag1.2 Nb2 S4 -","2","0.0833333","","van Smaalen, S.; de Boer, J.L.; Wiegers, G.A.; van der Lee, A.","Order-disorder transition in silver-intercalated niobium disulfide compounds. I. Structural determination of Ag0.6 Nb S2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1991","43","","9420","9430","10.1103/PhysRevB.43.9420","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509070","4.3747","","4.3747","","5.8087","","90","","90","","120","","96.273","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Silver indium antimony telluride (0.034/0.037/0.764/0.165)","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.102 In0.111 Sb2.292 Te0.495 -","3","0.0833333","","Umetami, Y.; Yamada, N.; Matsunaga, T.","Structural study of a Ag3.4 In3.7 Sb76.4 Te16.5 quadruple compound utilized for phase-change optical disks","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","184116","","10.1103/PhysRevB.64.184116","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509349","8.031","","8.014","","6.221","","90","","128.42","","90","","313.693","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ag Ga S2 -","- Ag Ga S2 -","- Ag4 Ga4 S8 -","4","1","","Ishizawa, N.; Kitahara Eba, H.; Noda, Y.; Marumo, F.","Synchrotron X-ray stuy of the monoclinic high-pressure structure of Ag Ga S2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","61","","3310","3316","10.1103/PhysRevB.61.3310","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509878","11.17","","11.17","","11.17","","90.1","","90.1","","90.1","","1393.66","","","","","","","","","","","","","3","R 3 2 :R","P 3* 2","155","","Rb Ag4 I5","","- Ag4 I5 Rb -","- Ag4.0005 I5 Rb -","- Ag16.002 I20 Rb4 -","4","0.666667","","Geller, S.","Low temperature phases of the solid electrolyte Rb Ag4 I5","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1976","14","","4345","4355","10.1103/PhysRevB.14.4345","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510239","3.8197","","3.8888","","11.7121","","90","","90","","90","","173.972","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Y Ba2 Cu2.92 Au0.08 O7.04","","- Au0.08 Ba2 Cu2.92 O7.04 Y -","- Au0.08 Ba2 Cu2.92 O7.04 Y -","- Au0.08 Ba2 Cu2.92 O7.04 Y -","1","0.125","","Xiao, G.; Bakhshai, A.; Cieplak, M.Z.; Stalick, J.K.; Rhyne, J.J.; Artymowicz, D.; Chien, G.L.","Incorporation of gold into YBa2Cu3O7: structure and Tc enhancement","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","6200","6208","10.1103/PhysRevB.42.6200","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510284","3.195","","3.195","","14.919","","90","","90","","120","","131.89","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Au (V S2)","","- Au S2 V -","- Au S2 V -","- Au2 S4 V2 -","2","0.0833333","","Marezio, M.; Gauzzi, A.; Calestani, G.; Gilioli, E.; Franchini, C.; Massidda, S.; Licci, F.","Structural, transport and electronic properties of a layered dichalcogenide Au V S2 with semimetallic properties","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","085106-1","085106-7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510380","4.3005","","4.3005","","10.2116","","90","","90","","90","","188.856","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au2 Ce Si2 -","- Au2 Ce Si2 -","- Au4 Ce2 Si4 -","2","0.0625","","Parks, R.D.; Murgai, V.; Lawrence, J.M.; Grier, B.H.","Magnetic ordering in Ce M2 Si2 (M= Ag, Au, Pd, Rh) compounds as studied by neutron diffraction","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1984","29","","2664","2672","10.1103/PhysRevB.29.2664","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510794","2.879","","2.879","","7.052","","90","","90","","120","","50.62","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- B2 O -","- B2 O -","- B4 O2 -","2","0.166667","","Sankey, O.F.; McMillan, P.F.; Grumbach, M.P.","Properties of B2 O: an unsymmetrical analog of carbon","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15807","15811","10.1103/PhysRevB.52.15807","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510912","5.48","","5.48","","3.121","","90","","90","","120","","81.168","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Ce0.5 La0.5) Rh3 B2","","- B2 Ce0.5 La0.5 Rh3 -","- B2 Ce0.5 La0.5 Rh3 -","- B2 Ce0.5 La0.5 Rh3 -","1","0.0416667","","Shenoy, G.K.; Niarchos, D.G.; Malik, S.K.; Aldred, A.D.; Umarji, A.M.","Magnetism and superconductivity in the system Ce1-x Lax Rh3 B2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1985","32","","4742","4745","10.1103/PhysRevB.32.4742","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510940","5.475","","5.475","","3.088","","90","","90","","120","","80.163","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Ce2 Ir3 Rh3 B4)0.5","","- B2 Ce Ir1.5 Rh1.5 -","- B2 Ce Ir1.5 Rh1.5 -","- B2 Ce Ir1.5 Rh1.5 -","1","0.0416667","","Hsu, S.W.; Ku, H.C.","Ferromagnetic enhancement in the hexagonal Ce (Rh1-x Irx)3 B2 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1988","38","","2944","2947","10.1103/PhysRevB.38.2944","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510957","5.5","","5.5","","3.088","","90","","90","","120","","80.897","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ce (Ir2 Rh) B2","","- B2 Ce Ir2 Rh -","- B2 Ce Ir2.01 Rh0.99 -","- B2 Ce Ir2.01 Rh0.99 -","1","0.0416667","","Dhar, S.K.; Umarji, A.M.; Malik, S.K.; Vijayaraghavan, R.","Evolution of magnetism from mixed-valent Ce Ir3 B2 to trivalent Ce Ir3 Si2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","8929","8932","10.1103/PhysRevB.36.8929","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510965","7.48","","7.48","","14.88","","90","","90","","90","","832.542","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh17 Ru3 Y5 B20)1.6","","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","1","0.03125","","Bevolo, A.J.; Hamaker, H.C.; Jacobson, R.A.; Horng, H.E.; Bader, S.D.; Richardson, J.W.jr.; Shelton, R.N.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510966","7.46","","7.46","","14.975","","90","","90","","90","","833.383","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh4 Ru16 Y5 B20)1.6","","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","1","0.03125","","Hamaker, H.C.; Jacobson, R.A.; Bevolo, A.J.; Bader, S.D.; Horng, H.E.; Shelton, R.N.; Richardson, J.W.jr.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y(Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510969","5.547","","5.547","","2.963","","90","","90","","120","","78.955","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ce Rh Ru2 B2","","- B2 Ce Rh Ru2 -","- B2 Ce Rh1.2 Ru1.8 -","- B2 Ce Rh1.2 Ru1.8 -","1","0.0416667","","Yang, K.N.; Lassailly, Y.; Maple, M.B.; Allen, J.W.; Pate, B.B.; Kang, J.-S.; Ellis, W.P.; Lindau, I.; Torikachvili, M.S.","Density-of-states-driven transition from superconductivity to ferromagnetism in Ce (Ru1-xRhx)3 B2: Scenario for an exchange-split Kondo resonance","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","","9013","9023","10.1103/PhysRevB.41.9013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510970","5.56","","5.56","","2.98","","90","","90","","120","","79.78","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ce (Ru0.5 Rh2.5) B2","","- B2 Ce Rh2.5 Ru0.5 -","- B2 Ce Rh2.499 Ru0.501 -","- B2 Ce Rh2.499 Ru0.501 -","1","0.0416667","","Malik, S.K.; Reeves, M.E.; Montano, P.A.; Umarji, A.M.; Shenoy, G.K.","Valence state of Ce and the magmatism in Ce Rh3 B2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1985","31","","4728","4731","10.1103/PhysRevB.31.4728","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510971","5.469","","5.469","","3.09","","90","","90","","120","","80.04","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce Rh3 B2","","- B2 Ce Rh3 -","- B2 Ce Rh3 -","- B2 Ce Rh3 -","1","0.0416667","","Ku, H.C.; Hsu, S.W.","Ferromagnetic enhancement in the hexagonal Ce (Rh1-x Irx)3 B2 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1988","38","","2944","2947","10.1103/PhysRevB.38.2944","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510972","5.499","","5.499","","3.085","","90","","90","","120","","80.789","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce Rh3 B2","","- B2 Ce Rh3 -","- B2 Ce Rh3 -","- B2 Ce Rh3 -","1","0.0416667","","Umarji, A.M.; Dhar, S.K.; Malik, S.K.; Vijayaraghavan, R.","Evolution of magnetism from mixed-valent Ce Ir3 B2 to trivalent Ce Ir3 Si2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","8929","8932","10.1103/PhysRevB.36.8929","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511034","5.704","","5.704","","3.188","","90","","90","","120","","89.827","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ce Rh3 B Si","","- B Ce Rh3 Si -","- B Ce Rh3 Si -","- B Ce Rh3 Si -","1","0.0416667","","Malik, S.K.; Paulose, P.L.; Shenoy, G.K.; Dhar, S.K.; Vijayaraghavan, R.","Dehybridization of the 4f-shell in Si-substituted Ce Rh3 B2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1986","34","","8196","8198","10.1103/PhysRevB.34.8196","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511091","2.86","","2.86","","2.86","","90","","90","","90","","23.394","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe9 B)0.2","","- B0.2 Fe1.8 -","- B0.18 Fe1.82 -","- B0.18 Fe1.82 -","1","0.0104167","","Hines, W.A.; Choi, M.; Hasegawa, R.; Sanchez, F.H.; Zhang, Y.D.; Budnick, J.I.","Mossbauer study of the local atomic environments in metastable crystalline Fe-B alloys","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1986","34","","4738","4743","10.1103/PhysRevB.34.4738","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511105","8.696","","8.696","","11.9151","","90","","90","","90","","901.025","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Er2 Fe10 Mn4 B","","- B Er2 Fe10 Mn4 -","- B Er2 Fe9.996 Mn4.004 -","- B4 Er8 Fe39.984 Mn16.016 -","4","0.25","","Fuerst, C.D.; Hsueh, C.M.; Meisner, G.P.; Xie, D.; Yelon, W.B.","Magnetic ordering in erbium iron manganese boron compounds RE2 Fe14 B H (D)x; RE=Y,Ce,Er","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","9389","9396","10.1103/PhysRevB.39.9389","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511107","8.6947","","8.6947","","11.9099","","90","","90","","90","","900.362","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Er2 Fe11 Mn3 B","","- B Er2 Fe11 Mn3 -","- B Er2 Fe11.004 Mn2.996 -","- B4 Er8 Fe44.016 Mn11.984 -","4","0.25","","Yelon, W.B.; Meisner, G.P.; Fuerst, C.D.; Xie, D.; Hsueh, C.M.","Magnetic ordering in erbium iron manganese boron compounds RE2 Fe14 B H (D)x; RE=Y,Ce,Er","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","9389","9396","10.1103/PhysRevB.39.9389","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511110","8.726","","8.726","","11.923","","90","","90","","90","","907.854","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Er2 Fe6 Mn8 B","","- B Er2 Fe6 Mn8 -","- B Er2 Fe6.002 Mn7.998 -","- B4 Er8 Fe24.008 Mn31.992 -","4","0.25","","Meisner, G.P.; Hsueh, C.M.; Xie, D.; Fuerst, C.D.; Yelon, W.B.","Magnetic ordering in erbium iron manganese boron compounds RE2 Fe14 B H (D)x; RE=Y,Ce,Er","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","9389","9396","10.1103/PhysRevB.39.9389","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511111","8.6977","","8.6977","","11.9083","","90","","90","","90","","900.863","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Er2 Fe8 Mn6 B","","- B Er2 Fe8 Mn6 -","- B Er2 Fe7.98 Mn6.02 -","- B4 Er8 Fe31.92 Mn24.08 -","4","0.25","","Xie, D.; Fuerst, C.D.; Meisner, G.P.; Yelon, W.B.; Hsueh, C.M.","Magnetic ordering in erbium iron manganese boron compounds RE2 Fe14 B H (D)x; RE=Y,Ce,Er","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","9389","9396","10.1103/PhysRevB.39.9389","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511318","4.138","","4.138","","4.138","","90","","90","","90","","70.855","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rh3 U B0.8","","- B0.8 Rh3 U -","- B0.8 Rh3 U -","- B0.8 Rh3 U -","1","0.0208333","","Lam, D.J.; Dunlap, B.D.; Jorgensen, J.D.; Malik, S.K.; Crabtree, G.W.; Mitchell, A.W.; Strite, S.C.; Koelling, D.D.; Kwok, W.K.; Kierstead, H.A.","Band-narrowing effects in U Rh3 Bx","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","5640","5646","10.1103/PhysRevB.39.5640","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511338","5.518","","5.518","","3.35","","90","","90","","120","","88.336","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ce Ir3 (B1.2 Si0.8)","","- B1.2 Ce Ir3 Si0.8 -","- B1.2 Ce Ir3 Si0.8 -","- B1.2 Ce Ir3 Si0.8 -","1","0.0416667","","Vijayaraghavan, R.; Dhar, S.K.; Malik, S.K.; Umarji, A.M.","Evolution of magnetism from mixed-valent Ce Ir3 B2 to trivalent Ce Ir3 Si2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","8929","8932","10.1103/PhysRevB.36.8929","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511395","5.2278","","5.2278","","25.6752","","90","","90","","120","","607.69","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Zr0.6 Sc0.4) B12","","- B12 Sc0.4 Zr0.6 -","- B12 Sc0.4 Zr0.6 -","- B72 Sc2.4 Zr3.6 -","6","0.166667","","Hamada, K.; Matsuura, K.; Yamauchi, H.; Sugii, N.; Kubo, K.; Wakata, M.","Phase transition in the Zr1-xScxB12 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","6892","6898","10.1103/PhysRevB.48.6892","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511507","5.308","","5.308","","7.403","","90","","90","","90","","208.579","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Rh4 Y B4","","- B4 Rh4 Y -","- B4 Rh4 Y -","- B8 Rh8 Y2 -","2","0.125","","Misra, S.K.; Postma, H.","Low-temperature ordered states of R Rh4 B4, (R= rare earth) due to dipole-dipole and exchange interactions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1984","30","","1285","1293","10.1103/PhysRevB.30.1285","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511513","7.448","","7.448","","15","","90","","90","","90","","832.091","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Ru4 Y B4","","- B4 Ru4 Y -","- B4 Ru4 Y -","- B32 Ru32 Y8 -","8","0.25","","Horng, H.E.; Bevolo, A.J.; Richardson, J.W.jr.; Hamaker, H.C.; Shelton, R.N.; Jacobson, R.A.; Bader, S.D.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511579","5.1264","","5.1264","","16.5602","","90","","90","","120","","376.896","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Pr5 Co19 B6","","- B6 Co19 Pr5 -","- B6 Co19 Pr5 -","- B6 Co19 Pr5 -","1","0.0416667","","Chen, L.; Li, X.; Liang, J.K.; Shen, B.-G.; Liu, Q.L.; Chen, Y.","Synthesis, structure and magnetic properties of Pr5 Co19 B6","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","61","","3502","3507","10.1103/PhysRevB.61.3502","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518862","12.7036","0.0013","3.9646","0.0003","22.6796","0.0018","90","","92.642","0.007","90","","1141.04","0.17","100","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Iridium telluride","","- Ir Te2 -","- Ir2 Te4 -","- Ir16 Te32 -","8","2","","Pascut, G. L.; Birol, T.; Gutmann, M. J.; Yang, J. J.; Cheong, S.-W.; Haule, K.; Kiryukhin, V.","Series of alternating states with unpolarized and spin-polarized bands in dimerized IrTe2","Physical Review B","2014","90","19","195122","","10.1103/PhysRevB.90.195122","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518863","12.6659","0.0006","3.9224","0.0001","16.9186","0.0007","90","","99.283","0.004","90","","829.52","0.06","300","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Iridium telluride","","- Ir Se0.4 Te1.6 -","- Ir2 Se0.802667 Te3.19733 -","- Ir12 Se4.816 Te19.184 -","6","0.75","","G. L. Pascut; T. Birol; M. J. Gutmann; J. J. Yang; S.-W. Cheong; K. Haule; V. Kiryukhin","Series of alternating states with unpolarized and spin-polarized bands in dimerized IrTe2","Physical Review B","2015","90","","195122","","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00","" "1520200","4.7983","0.0005","5.708","0.006","4.9747","0.0005","90","","91.124","0.007","90","","136.22","0.14","293","2","293","2","","","2400","","","","","3","P 1 2/c 1","-P 2yc","13","","manganese tungstate","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.029","0.0276","","","0.0604","0.0608","","","","","","1.109","","","","has coordinates","137660","2020-10-21","18:00:00","" "1520201","4.6888","0.0006","5.536","0.006","4.8844","0.0005","90","","91.415","0.007","90","","126.75","0.14","293","2","293","2","","","14400","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.0375","0.0349","","","0.0791","0.0803","","","","","","1.084","","","","has coordinates","137661","2020-10-21","18:00:00","" "1520202","4.6644","0.0007","5.468","0.006","4.8614","0.0006","90","","91.603","0.008","90","","123.94","0.14","293","2","293","2","","","20100","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.0717","0.0691","","","0.176","0.1821","","","","","","1.16","","","","has coordinates","137662","2020-10-21","18:00:00","" "1520815","3.8891","","3.8891","","9.5407","","90","","90","","90","","144.304","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Hg Ba2 Cu O4.054","","- Ba2 Cu Hg O4.054 -","- Ba2 Cu Hg O4.054 -","- Ba2 Cu Hg O4.054 -","1","0.0625","","Balagurov, A.M.; Sheptyakov, D.V.; Radaelli, P.G.; Aksenov, V.L.; Putilin, S.N.; Antipov, E.V.; Marezio, M.","Structure of Hg Ba2 Cu O4+d (0.06