# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T03:22:27+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 'Computers and Chemistry') AND volume = 24 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
"1514004","8.2579","0.0003","8.2579","0.0003","8.2579","0.0003","90","","90","","90","","563.13","0.04","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.96/2.04/4)","","- Li0.956 Mn2.044 O4 -","- Li0.956 Mn2.044 O4 -","- Li7.648 Mn16.352 O32 -","8","0.0416667","","Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.","Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides","Computers and Chemistry","2000","24","","609","613","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514005","8.1845","0.0003","8.1845","0.0003","8.1845","0.0003","90","","90","","90","","548.25","0.03","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.05/1.95/4)","","- Li1.049 Mn1.951 O4 -","- Li1.049 Mn1.951 O4 -","- Li8.392 Mn15.608 O32 -","8","0.0416667","","Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.","Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides","Computers and Chemistry","2000","24","","609","613","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""