# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T09:26:07+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 B') AND volume = 83 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
"1501463","4.7402","","4.7402","","26.0028","","90","","90","","120","","505.992","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe7 Mo6 -","- Fe7 Mo6 -","- Fe21 Mo18 -","3","0.0833333","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501464","4.6594","","4.6594","","7.7433","","90","","90","","120","","145.585","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Mo -","- Fe2 Mo -","- Fe8 Mo4 -","4","0.166667","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""