# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T00:42:44+01:00
# 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 Letters') 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
"1512248","8.6283","0.0016","8.6283","0.0016","10.604","0.002","90","","90","","120","","683.7","0.2","295","","295","","","","15000000","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C O2 -","- C1.0005 O1.9995 -","- C24.012 O47.988 -","24","0.666667","","Datchi, Frédéric; Giordano, Valentina M.; Munsch, Pascal; Saitta, A. Marco","Structure of Carbon Dioxide Phase IV: Breakdown of the Intermediate Bonding State Scenario","Physical Review Letters","2009","103","18","185701","","10.1103/PhysRevLett.103.185701","","","0.41431","?l_a","","0.034","0.0291","","0.0396","0.0359","0.0396","","","","","","1.1682","","","","has coordinates","209050","2020-10-21","18:00:00",""
"1512396","4.5786","0.0003","5.2981","0.0003","2.9991","0.0002","90","","90","","90","","72.752","0.008","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron tetraborate","","- B4 Fe -","- B4 Fe -","- B8 Fe2 -","2","0.25","","Gou, Huiyang; Dubrovinskaia, Natalia; Bykova, Elena; Tsirlin, Alexander A.; Kasinathan, Deepa; Schelle, Walter; Richter, Asta; Merlini, Marco; Hanfland, Michael; Abakumov, Artem M.; Batuk, Dmitry; van Tendeloo, Gustaaf; Nakajima, Yoichi; Kolmogorov, Aleksey N.; Dubrovinsky, Leonid","Discovery of a superhard iron tetraboride superconductor","Physical Review Letters","2013","111","15","","","10.1103/physrevlett.111.157002","","","","","","","","","","","","","","","","","","","","","has coordinates","209338","2020-10-21","18:00:00",""
"1517802","3.5518","0.0005","3.5518","0.0005","5.9184","0.0009","90","","90","","90","","74.662","0.019","295","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.25","","Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Ninet, Sandra","Structure of Polymeric Carbon Dioxide CO~2~-V","Physical Review Letters","2012","108","12","125701","","10.1103/physrevlett.108.125701","powder diffraction","","","X-ray","","","","","","","","","3.6822","","","","","","","","has coordinates","209050","2020-10-21","18:00:00",""
"1523048","2.822","","2.822","","4.411","","90","","90","","90","","35.128","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","","- Th -","- Th -","- Th2 -","2","0.0625","","Vohra, Y.K.; Akella, J.","5f-bonding in thorium metal at extreme compressions: Phase transitions to 300 GPa","Physical Review Letters","1991","67","","3563","3566","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524026","7.584","","7.584","","7.584","","90","","90","","90","","436.209","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Ir Os)","","- Ce Ir Os -","- Ce Ir Os -","- Ce8 Ir8 Os8 -","8","0.0416667","","Barberis, G.E.; Donoso, J.P.; Davidov, D.; Gandra, F.C.G.; Torriani, I.; Rettori, C.","Electron-spin-resonance and lattice-parameter study of cerium cubic Laves-phase compoumds: Evidence for intermediate-valence state","Physical Review Letters","1980","45","","1966","1970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524027","7.65","","7.65","","7.65","","90","","90","","90","","447.697","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Ir Pt)","","- Ce Ir Pt -","- Ce Ir Pt -","- Ce8 Ir8 Pt8 -","8","0.0416667","","Barberis, G.E.; Davidov, D.; Torriani, I.; Rettori, C.; Gandra, F.C.G.; Donoso, J.P.","Electron-spin-resonance and lattice-parameter study of cerium cubic Laves-phase compoumds: Evidence for intermediate-valence state","Physical Review Letters","1980","45","","1966","1970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528962","3.89069","","3.89069","","7.4994","","90","","90","","90","","113.522","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Y Ba Co2 O5","","- Ba Co2 O5 Y -","- Ba Co2 O5 Y -","- Ba Co2 O5 Y -","1","0.0625","","Vogt, T.; Woodward, P.M.; Hunter, B.A.; Karen, P.; Henning, P.; Moodenbaugh, A.R.","Low to high spin-state transition induced by charge ordering in antiferromagnetic Y Ba Co2 O5","Physical Review Letters","2000","84","","2969","2972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528963","7.8235","","3.8746","","7.4367","","90","","90","","90","","225.428","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Y Ba Co2 O5","","- Ba Co2 O5 Y -","- Ba Co2 O5 Y -","- Ba2 Co4 O10 Y2 -","2","0.25","","Vogt, T.; Karen, P.; Woodward, P.M.; Hunter, B.A.; Henning, P.; Moodenbaugh, A.R.","Low to high spin-state transition induced by charge ordering in antiferromagnetic Y Ba Co2 O5","Physical Review Letters","2000","84","","2969","2972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533995","7.2838","","14.363","","7.5943","","90","","90","","90","","794.495","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er5 Si4 -","- Er5 Si4 -","- Er20 Si16 -","4","0.5","","Pecharskii, V.K.; Gschneidner, K.A.jr.; Mozharivsky, Yu.; Pecharsky, A.O.; Miller, G.J.","Decoupling of the magnetic and structural transformations in Er5 Si4","Physical Review Letters","2003","91","","207205-1","207205-1","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533997","7.346","","14.375","","7.5571","","90","","90","","92.992","","796.932","","","","","","","","","","","","","2","P 1 1 21/a","-P 2ac","14","","","","- Er5 Si4 -","- Er5 Si4 -","- Er20 Si16 -","4","1","","Pecharskii, V.K.; Gschneidner, K.A.jr.; Pecharsky, A.O.; Mozharivsky, Yu.; Miller, G.J.","Decoupling of the magnetic and structural transformations in Er5 Si4","Physical Review Letters","2003","91","","207205-1","207205-4","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534965","4.46577","","4.46577","","6.81389","","90","","90","","90","","135.89","","","","","","","","","","","","","3","I -4","I -4","82","","B (As O4)","","- As B O4 -","- As B O4 -","- As2 B2 O8 -","2","0.25","","Haines, J.; Chateau, C.; Leger, J.M.; Bogicevic, C.; Hull, S.; Klug, D.D.; Tse, J.S.","Collapsing cristobalitelike structures in silica analogues at high pressure","Physical Review Letters","2003","91","","015503","015503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538712","4.129","","4.129","","9.575","","90","","90","","90","","163.241","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ru2 U Si2","","- Ru2 Si2 U -","- Ru2 Si2 U -","- Ru4 Si4 U2 -","2","0.0625","","Maple, M.B.; Chen, J.W.; Dalichaouch, Y.; McElfresh, M.W.; Kohara, T.; Rossel, C.; Torikachvili, M.S.; Thompson, J.D.","Partially gapped Fermi surface in the heavy-electron superconductor U Ru2 Si2","Physical Review Letters","1986","56","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538774","4.124","","4.124","","9.582","","90","","90","","90","","162.965","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ru2 U Si2","","- Ru2 Si2 U -","- Ru2 Si2 U -","- Ru4 Si4 U2 -","2","0.0625","","Mason, T.E.; Gaulin, B.D.; Garrett, J.D.; Tun, Z.; Buyers, W.J.L.; Isaacs, E.D.","Neutron-scattering measurements of long-range antiferromagnetic order in U Ru2 Si2","Physical Review Letters","1990","65","","3189","3192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541654","5.081","","5.081","","5.081","","90","","90","","90","","131.174","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- D -","- D -","- D4 -","4","0.0208333","","Schuch, A.F.; Mills, R.L.","Crystal structure of deuterium at low temperatures","Physical Review Letters","1966","16","","616","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1542161","9.866","","9.866","","5.773","","90","","90","","90","","561.932","","","","","","","","","","","","","7","P 4 m m","P 4 -2","99","","K2 Pt (C N)4 Br.3 (H2 O)3.2","","- C4 H6.4 Br0.3 K2 N4 O3.2 Pt -","- C4 Br0.302 K2 N4 O3.22 Pt -","- C8 Br0.604 K4 N8 O6.44 Pt2 -","2","0.25","","Peters, C.; Eagen, C.F.","Crystal Structure of K2 Pt (C N)4 Br.30 (H2 O)3.2","Physical Review Letters","1975","34","","1132","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542235","5.084","","5.084","","5.084","","90","","90","","90","","131.406","","","","","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","","","","- D -","- D -","- D4 -","4","0.166667","","Mucker, K.F.; White, D.; Talhouk, S.; Harris, P.M.","Crystal Structure of Para-enriched Solid Deuterium Below the lambda Transition","Physical Review Letters","1966","16","","799","801","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1564991","5.0539","0.0003","5.0539","0.0003","8.21","0.001","90","","90","","120","","181.6","0.03","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- H12 O12 Xe4 -","- H3 O3 Xe -","- H12 O12 Xe4 -","4","0.166667","","Sanloup, Chrystèle; Bonev, Stanimir A.; Hochlaf, Majdi; Maynard-Casely, Helen E.","Reactivity of Xenon with Ice at Planetary Conditions","Physical Review Letters","2013","110","26","","","10.1103/PhysRevLett.110.265501","","","","","","","","","","","","","","","","","","","","","has coordinates","270013","2021-10-18","23:04:43",""
"9009238","7.66","","4.1","","5.03","","90","","117.9","","90","","139.61","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Si -","- O2 Si -","- O12 Si6 -","6","1.5","","Haines, J.; Leger, J. M.; Gorelli, F.; Hanfland, M.","Crystalline post-quartz phase in silica at high pressure Sample at ambient conditions","Physical Review Letters","2001","87","","155503","155503","10.1103/PhysRevLett.87.155503","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9011636","4.242","","4.242","","4.242","","90","","90","","90","","76.333","","","","18.76","","","","171000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Helium","","Helium","- He -","- He -","- He4 -","4","0.0208333","","Schuch, A. F.; Mills, R. L.","New allotropic form of He3 Sample: at T = 18.76 K & P = .171 GPa","Physical Review Letters","1961","6","","596","597","10.1103/PhysRevLett.6.596","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011637","3.046","","3.046","","4.986","","90","","90","","120","","40.063","","","","15.98","","","","136000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","New allotropic form of He3 Sample: at T = 15.98 K & P = .136 GPa","Physical Review Letters","1961","6","","596","597","10.1103/PhysRevLett.6.596","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011638","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","1.73","","","","3000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Helium","","Helium","- He -","- He -","- He2 -","2","0.0208333","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa Note: structure known as gamma phase","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011639","3.65","","3.65","","5.945","","90","","90","","120","","68.591","","","","1.73","","","","3000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011640","3.277","","3.277","","2.584","","90","","90","","120","","24.031","","","","","","","","206500000","","","","Synthetic","1","R -3 m :H","-R 3 2""","166","Sulfur","","Sulfur","- S -","- S -","- S3 -","3","0.0833333","","Luo, H.; Greene, R. G.; Ruoff, A. L.","Beta-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa Sample: at P = 206.5 GPa Note: this is known as the Beta-Po phase of sulfur, stable above 162 GPa","Physical Review Letters","1993","71","","2943","2946","10.1103/PhysRevLett.71.2943","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011641","11.205","","6.626","","6.595","","90","","90","","90","","489.641","","","","","","","","12000000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 12 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011642","10.879","","6.443","","6.389","","90","","90","","90","","447.827","","","","","","","","19600000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 19.6 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011643","10.641","","6.278","","6.249","","90","","90","","90","","417.459","","","","","","","","25800000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 25.8 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011644","8.0242","","4.7961","","4.776","","90","","90","","90","","183.804","","","","","","","","38400000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 38.4 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011645","7.9686","","4.7759","","4.7546","","90","","90","","90","","180.947","","","","","","","","42500000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 42.5 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011646","7.92","","4.7586","","4.7361","","90","","90","","90","","178.495","","","","","","","","45500000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 45.5 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012724","3.34","","3.34","","3.34","","90","","90","","90","","37.26","","","","","","","","87000000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Silicon","","Silicon","- Si -","- Si -","- Si4 -","4","0.0208333","","Duclos, S. J.; Vohra, Y. K.; Ruoff, A. L.","hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa Sample: at P = 87 GPa Note: fcc structure stable above 78 GPa","Physical Review Letters","1987","58","","775","777","10.1103/PhysRevLett.58.775","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012725","3.011","","3.011","","4.855","","90","","90","","90","","44.016","","","","","","","","92000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cesium","","Cesium","- Cs -","- Cs -","- Cs2 -","2","0.0833333","","Takemura, K.; Shimomura, O.; Fujihisa, H.","Cs(VI): a new high-pressure polymorph of cesium above 72 GPa Sample: at P = 92 GPa Note: stable above P = 72 GPa Note: known as cesium-VI","Physical Review Letters","1991","66","","2014","2017","10.1103/PhysRevLett.66.2014","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013419","5.0576","","5.6245","","6.9884","","90","","90","","90","","198.795","","","","","","","","","","quenched from 20 GPa, 1700 K","quenched from 20 GPa","Synthetic","1","P n n m","-P 2 2n","58","Boron","","Boron","- B -","- B -","- B28 -","28","3.5","","Zarechnaya, E. Y.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; El Goresy, A.; Braun, H. F.; Van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A. S.; Abrikosov, I. A.; Simak, S. I.","Superhard semiconducting optically transparent high pressure phase of boron Note: crystal quenched from 20 GPa, 1700 K","Physical Review Letters","2009","102","","185501","1185501-4","10.1103/PhysRevLett.102.185501","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""