# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:03:19+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 volume = 48 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
"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",""
"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",""
"1534648","4","","4","","24.95","","90","","90","","120","","345.717","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- In Se -","- In Se -","- In6 Se6 -","6","0.333333","","Gomez da Costa, P.; Dandrea, R.G.; Wallis, R.F.; Balkanski, M.","First-principles study of the electronic structure of gamma-InSe and beta-InSe","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","14135","14141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534875","4.52","","4.52","","4.52","","90","","90","","90","","92.345","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Sc -","- Sc -","- Sc4 -","4","0.0208333","","Haglund, J.; Korling, M.; Grimvall, G.; Fernandez Guillermet, F.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534878","4.06","","4.06","","4.06","","90","","90","","90","","66.923","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ti -","- Ti -","- Ti4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534881","3.79","","3.79","","3.79","","90","","90","","90","","54.44","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- V -","- V -","- V4 -","4","0.0208333","","Haglund, J.; Korling, M.; Fernandez Guillermet, F.; Grimvall, G.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534885","3.6","","3.6","","3.6","","90","","90","","90","","46.656","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cr -","- Cr -","- Cr4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534888","3.43","","3.43","","3.43","","90","","90","","90","","40.354","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Fe -","- Fe -","- Fe4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Korling, M.; Grimvall, G.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534891","3.42","","3.42","","3.42","","90","","90","","90","","40.002","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Co -","- Co -","- Co4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534892","3.45","","3.45","","3.45","","90","","90","","90","","41.064","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Haglund, J.; Korling, M.; Fernandez Guillermet, F.; Grimvall, G.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534895","3.49","","3.49","","3.49","","90","","90","","90","","42.509","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Mn -","- Mn -","- Mn4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534898","4.97","","4.97","","4.97","","90","","90","","90","","122.763","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Y -","- Y -","- Y4 -","4","0.0208333","","Haglund, J.; Grimvall, G.; Fernandez Guillermet, F.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534901","4.51","","4.51","","4.51","","90","","90","","90","","91.734","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Zr -","- Zr -","- Zr4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534903","4.23","","4.23","","4.23","","90","","90","","90","","75.687","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Nb -","- Nb -","- Nb4 -","4","0.0208333","","Haglund, J.; Grimvall, G.; Fernandez Guillermet, F.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534907","4.03","","4.03","","4.03","","90","","90","","90","","65.451","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Mo -","- Mo -","- Mo4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534910","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Tc -","- Tc -","- Tc4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534914","3.83","","3.83","","3.83","","90","","90","","90","","56.182","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ru -","- Ru -","- Ru4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534917","3.83","","3.83","","3.83","","90","","90","","90","","56.182","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Rh -","- Rh -","- Rh4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534921","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534925","5.32","","5.32","","5.32","","90","","90","","90","","150.569","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- La -","- La -","- La4 -","4","0.0208333","","Haglund, J.; Grimvall, G.; Fernandez Guillermet, F.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534929","4.44","","4.44","","4.44","","90","","90","","90","","87.528","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Hf -","- Hf -","- Hf4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534932","4.22","","4.22","","4.22","","90","","90","","90","","75.151","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ta -","- Ta -","- Ta4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534935","4.06","","4.06","","4.06","","90","","90","","90","","66.923","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- W -","- W -","- W4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534939","3.95","","3.95","","3.95","","90","","90","","90","","61.63","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Re -","- Re -","- Re4 -","4","0.0208333","","Haglund, J.; Grimvall, G.; Fernandez Guillermet, F.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534943","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Os -","- Os -","- Os4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534947","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ir -","- Ir -","- Ir4 -","4","0.0208333","","Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.","Theory of bonding in transition-metal carbides and nitrides","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","11685","11691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535440","3.144","","3.144","","5.046","","90","","90","","120","","43.196","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Miwa, K.; Fukumoto, A.","First-principles calculation of the structural, electronic, and vibrational properties of gallium nitride and aluminum aluminum nitride","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","7897","7902","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535443","3.146","","3.146","","5.125","","90","","90","","120","","43.928","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Miwa, K.; Fukumoto, A.","First-principles calculation of the structural, electronic, and vibrational properties of gallium nitride and aluminum aluminum nitride","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","7897","7902","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536250","3.83","","3.83","","5.4","","90","","90","","120","","68.6","","","","","","","","","","","","","2","P -3","-P 3","147","","Si H","","- H Si -","- H Si -","- H2 Si2 -","2","0.333333","","Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E.","Structures of siloxene and layered polysilane (Si6 H6)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","17872","17877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536253","3.83","","3.83","","5.9","","90","","90","","120","","74.951","","","","","","","","","","","","","3","P 3","P 3","143","","Si2 H2 O","","- H2 O Si2 -","- O Si2 -","- O Si2 -","1","0.333333","","Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E.","Structures of siloxene and layered polysilane (Si6 H6)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","17872","17877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536406","5.0837","","5.0837","","5.4955","","90","","90","","120","","122.998","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Di Pompinio, A.; Continenza, A.","Structural properties of alpha-quartz under high pressure and amorphization effects","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","12558","12565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536409","4.5404","","4.5404","","5.1761","","90","","90","","120","","92.411","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Di Pompinio, A.; Continenza, A.","Structural properties of alpha-quartz under high pressure and amorphization effects","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","12558","12565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536780","5.34","","5.34","","13.23","","90","","90","","90","","377.261","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 Cu O4.09","","- Cu La2 O4.09 -","- Cu La2 O4.058 -","- Cu4 La8 O16.232 -","4","0.125","","Radaelli, P.G.; Jorgensen, J.D.; Schultz, A.J.; Hunter, B.A.; Chou, F.C.; Wagner, J.L.; Johnston, D.C.","Structure of the superconducting La2 Cu O4+delta phases (delta= 0.08, 0.12) prepared by electrochemical oxidation","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","499","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536783","5.33794","","5.4106","","13.2155","","90","","90","","90","","381.683","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 Cu O4.12","","- Cu La2 O4.12 -","- Cu La2 O4.07 -","- Cu4 La8 O16.28 -","4","0.125","","Radaelli, P.G.; Wagner, J.L.; Jorgensen, J.D.; Hunter, B.A.; Schultz, A.J.; Chou, F.C.; Johnston, D.C.","Structure of the superconducting La2 Cu O4+delta phases (delta=0.08, 0.12) prepared by electrochemical oxidation","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","499","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536822","5.624","","5.714","","12.198","","90","","90","","90","","391.989","","","","","","","","","","","","","3","C m c a (c,a,b)","-C 2ac 2 (z,x,y)","64","","La2 (Cu O4)","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","","","Falter, C.; Klenner, M.; Chen, Q.","Role of bonding, reduced screening, and structure in the hightemperature superconductors","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","16690","16706","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536825","3.985","","3.985","","3.985","","90","","90","","90","","63.283","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ga N -","- Ga N -","- Ga4 N4 -","4","0.0208333","","Falter, C.; Klenner, M.; Chen, Q.","Role of bonding, reduced screening, and structure in the hightemperature superconductors","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","16690","16706","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536828","4.532","","4.532","","4.532","","90","","90","","90","","93.083","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- In N -","- In N -","- In4 N4 -","4","0.0208333","","Falter, C.; Klenner, M.; Chen, Q.","Role of bonding, reduced screening, and structure in the hightemperature superconductors","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","16690","16706","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537223","4.688","","4.688","","5.185","","90","","90","","120","","98.686","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.5","","Lacks, D.J.; Gordon, R.G.","Crystal-structure calculations with distorted ions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","2889","2908","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537224","5.291","","5.291","","6.133","","90","","90","","120","","148.689","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Ti O2","","- O2 Ti -","- O2 Ti -","- O6 Ti3 -","3","0.5","","Lacks, D.J.; Gordon, R.G.","Crystal-structure calculations with distorted ions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","2889","2908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011657","3.11","","3.11","","4.98","","90","","90","","120","","41.714","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011658","3.19","","3.19","","5.189","","90","","90","","120","","45.729","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011659","2.698","","2.698","","4.38","","90","","90","","120","","27.611","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Bromellite","- Be O -","- Be O -","- Be2 O2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011660","2.536","","2.536","","4.199","","90","","90","","120","","23.387","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011661","3.076","","3.076","","5.048","","90","","90","","120","","41.364","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Moissanite","- C Si -","- C Si -","- C2 Si2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011662","3.249","","3.249","","5.207","","90","","90","","120","","47.601","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Zincite","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011663","4.137","","4.137","","6.7144","","90","","90","","120","","99.52","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Greenockite","- Cd S -","- Cd S -","- Cd2 S2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011664","4.2985","","4.2985","","7.0152","","90","","90","","120","","112.255","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Cadmoselite","- Cd Se -","- Cd Se -","- Cd2 Se2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011665","3.811","","3.811","","6.234","","90","","90","","120","","78.411","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Wurtzite","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Xu, Y. N.; Ching, W. Y.","Electronic, optical, and structural properties of some wurtzite crystals Note: 2H polytype","Physical Review B","1993","48","","4335","4351","10.1103/PhysRevB.48.4335","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""