# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T23:18:37+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 'Journal of Physics: Condensed Matter') AND volume = 13 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
"1509372","5.01599","","5.01599","","5.01599","","90","","90","","90","","126.203","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Ag0.513 Hg0.257) (Ag0.487 Hg0.243) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.4992 I2 -","- Ag1.0008 Hg0.4992 I2 -","1","0.0104167","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509373","4.4833","","4.4833","","7.3252","","90","","90","","120","","127.51","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ag0.313 Hg0.157) (Ag0.687 Hg0.343) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.5002 I2 -","- Ag1.0008 Hg0.5002 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509687","15.48","","3.582","","9.537","","90","","128.741","","90","","412.471","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ag2 (V4 O11)","","- Ag2 O11 V4 -","- Ag2 O11 V4 -","- Ag4 O22 V8 -","2","0.25","","Onoda, M.; Kanbe, K.","Crystal structure and electronic properties of the Ag2 V4 O11 insertion electrode","Journal of Physics: Condensed Matter","2001","13","","6675","6685","10.1088/0953-8984/13/31/308","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510007","4.86728","","4.86728","","4.86728","","90","","90","","90","","115.308","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","Ag3 S I","","- Ag3 I S -","- Ag3 I S -","- Ag3 I S -","1","0.333333","","Hayes, W.; Keen, D.A.; Hull, S.; Gardner, N.J.G.","The crystal structures of superionic Ag3 S I","Journal of Physics: Condensed Matter","2001","13","","2295","2316","10.1088/0953-8984/13/10/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510163","4.401","","4.401","","7.2326","","90","","90","","120","","121.319","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ho Au Ge","","- Au Ge Ho -","- Au Ge Ho -","- Au2 Ge2 Ho2 -","2","0.166667","","Poettgen, R.; Ouladdiaf, B.; Schnelle, W.; Kremer, R.K.; Gibson, B.J.","Crystal and magnetic structure of antiferromagnetic Ho Au Ge","Journal of Physics: Condensed Matter","2001","13","","2593","2606","10.1088/0953-8984/13/11/315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510170","4.3526","","4.3526","","15.474","","90","","90","","120","","253.881","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U Au Ge","","- Au Ge U -","- Au Ge U -","- Au4 Ge4 U4 -","4","0.166667","","Gibson, B.J.; Jepsen, O.; Poettgen, R.; Kremer, R.K.; Hoffmann, R.D.; Garrett, J.D.","Structure and chemical bonding of U Au Ge","Journal of Physics: Condensed Matter","2001","13","","3123","3137","10.1088/0953-8984/13/13/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510868","5.855","","10.3354","","8.2808","","90","","89.512","","90","","501.084","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Tb1.069 B28","","- B28 Tb1.069 -","- B28 Tb1.0692 -","- B56 Tb2.1384 -","2","0.25","","Zhang, F.; Tanaka, T.; Mori, T.","Synthesis and magnetic properties of binary boride RE B25 compounds","Journal of Physics: Condensed Matter","2001","13","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511289","6.851","","6.851","","6.821","","90","","90","","120","","277.26","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Pb (B P O5)","","- B O5 P Pb -","- B O5 P Pb -","- B3 O15 P3 Pb3 -","3","0.5","","Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B.","Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds","Journal of Physics: Condensed Matter","2001","13","","9663","9671","10.1088/0953-8984/13/42/323","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525579","13.7862","","5.6555","","9.4204","","90","","102.509","","90","","717.053","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pb3 (P O4)2","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","","Angel, R.J.; Bismayer, U.; Marshall, W.G.","Renormalization of the phase transition in lead phosphate, Pb3 (P O4)2, by high pressure: structure","Journal of Physics: Condensed Matter","2001","13","","5353","5364","","","","","","","","","","","","","","","","","","","","","","has coordinates","146596","2020-10-21","18:00:00",""
"1525621","3.9299","","3.9299","","4.1239","","90","","90","","90","","63.69","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Pb (Hf0.2 Ti0.8) O3","","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","1","0.125","","Bedoya, C.; Muller, C.; Baudour, J.L.; Soubeyroux, J.L.; Bouree, F.; Roubin, M.","Ferroelectric - paraelectric phase transition in Pb Hf0.2 Ti0.8 O3 studied by neutron powder diffraction","Journal of Physics: Condensed Matter","2001","13","","6453","6470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525672","6.84993","","6.84993","","16.1205","","90","","90","","120","","655.06","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs6 F18 Pb6 -","6","0.333333","","Berastegui, P.; Eriksson, S.G.; Hull, S.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525673","4.7748","","4.7748","","4.7748","","90","","90","","90","","108.859","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs F3 Pb -","1","0.0208333","","Berastegui, P.; Hull, S.; Eriksson, S.G.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526404","4.364","","4.364","","7.1759","","90","","90","","120","","118.352","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Cu0.453 Hg0.227) (Cu0.547 Hg0.273) I2","","- Cu Hg0.5 I2 -","- Cu1.0008 Hg0.4998 I2 -","- Cu1.0008 Hg0.4998 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526456","5.6618","","5.6618","","6.9407","","90","","90","","120","","192.683","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb ((Fe Ta) O6)0.5","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb Ta0.5 -","- Fe1.5 O9 Pb3 Ta1.5 -","3","0.166667","","Ivanov, S.A.; Eriksson, S.; Thomas, N.W.; Tellgren, R.; Rundlof, H.","A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2 Ta1/2) O3","Journal of Physics: Condensed Matter","2001","13","","25","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526556","5.8067","","5.8067","","13.19","","90","","90","","120","","385.154","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sr (V6 O11)","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Kosuge, K.; Yoshimura, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526559","5.831","","5.831","","13.3008","","90","","90","","120","","391.647","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pb (V6 O11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Yoshimura, K.; Kosuge, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526793","3.4145","","3.4145","","5.816","","90","","90","","120","","58.723","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.21 Ti S2","","- Cu0.21 S2 Ti -","- Cu0.2106 S2 Ti -","- Cu0.2106 S2 Ti -","1","0.0833333","","Kusawake, T.; Wey, M.Y.; Takahashi, Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526795","9.9216","","9.9216","","9.9216","","90","","90","","90","","976.664","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cu0.326 Ti S2","","- Cu0.326 S2 Ti -","- Cu0.326 S2 Ti -","- Cu5.216 S32 Ti16 -","16","0.0833333","","Kusawake, T.; Takahashi, Y.; Wey, M.Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526929","8.334","","8.334","","8.334","","90","","90","","90","","578.843","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.2 Mn0.8) (Cu0.8 Mn1.2) O4","","- Cu Mn2 O4 -","- Cu1.01 Mn1.95 O4 -","- Cu8.08 Mn15.6 O32 -","8","0.0416667","","Waskowska, A.; Staun Olsen, J.; Gerward, L.; Steenstrup, S.; Talik, E.","Cu Mn2 O4 : properties and the high-pressure induced Jahn-Teller phase transition","Journal of Physics: Condensed Matter","2001","13","","2549","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""