# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T09:07:45+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 'The Journal of Chemical Physics') AND volume = 154 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
"1567272","9.19256","0.0001","7.52147","0.00011","10.31017","0.00011","90","","109.317","0.0009","90","","672.728","0.015","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","ice V","","","- D2 O -","- D2.01029 O -","- D56.288 O28 -","28","3.5","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276772","2022-07-16","05:54:21",""
"1567273","9.24033","0.00013","7.46235","0.00011","10.29166","0.00013","90","","109.768","0.001","90","","667.839","0.017","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","ice XIII","","","- D2 O -","- D2 O -","- D56 O28 -","28","7","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276773","2022-07-16","05:55:25",""