# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-08T18:33:59+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 Chemical Physics') AND volume = 54 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
"1531648","10.3858","","10.4186","","10.7004","","90","","90","","90","","1157.84","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","Gd2 (Mo O4)3","","- Gd2 Mo3 O12 -","- Gd2 Mo3 O12 -","- Gd8 Mo12 O48 -","4","1","","Keve, E.T.; Abrahams, S.C.; Bernstein, J.L.","Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI","Journal of Chemical Physics","1971","54","","3185","3194","","","","","","","","","","","","","","","","","","","","","","has coordinates","157170","2020-10-21","18:00:00",""
"1541428","5.886","","5.886","","5.886","","90","","90","","90","","203.92","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ca C2","","- C2 Ca -","- C2 Ca -","- C8 Ca4 -","4","0.0208333","","Atoji, M.","Neutron structure analysis of cubic Ca C2 and K C N","Journal of Chemical Physics","1971","54","","3514","3516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541430","6.51","","6.51","","6.51","","90","","90","","90","","275.894","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K (C N)","","- C K N -","- C K N -","- C4 K4 N4 -","4","0.0208333","","Atoji, M.","Neutron structure analysis of cubic Ca C2 and K C N","Journal of Chemical Physics","1971","54","","3514","3516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""