# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T12:20:15+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 = 114 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
"1524075","10.5397","","10.5397","","10.5397","","90","","90","","90","","1170.81","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba8 Ga16 Si30","","- Ba3.5 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","1","0.0208333","","Blake, N.P.; Metiu, H.; Latturner, S.; Bryan, D.; Stucky, G.D.; Mollnitz, L.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","144736","2020-10-21","18:00:00",""
"1525686","10.793","","10.793","","10.793","","90","","90","","90","","1257.26","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","1","0.0208333","","Blake, N.P.; Bryan, D.; Metiu, H.; Mollnitz, L.; Stucky, G.D.; Latturner, S.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525687","10.7418","","10.7418","","10.7418","","90","","90","","90","","1239.46","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sr8 Ga16 Ge30","","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","1","0.0208333","","Blake, N.P.; Stucky, G.D.; Latturner, S.; Bryan, D.; Mollnitz, L.; Metiu, H.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","146718","2020-10-21","18:00:00",""