# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-08T21:59:55+02:00
# 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 'Physica Scripta') AND volume = 99 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
"1573720","6.81558","","6.81558","","5.365548","","90","","90","","120","","215.849","","","","","","","","","","","","","3","P 1","P 1","1","New structure","","","- Ba2 Cl6 Fe2 -","- Ba2 Cl6 Fe2 -","- Ba2 Cl6 Fe2 -","1","1","","Farhan Noor","A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3 (X = Cl, Br, I)","Physica Scripta","2024","99","","125962","","","","","","","","","","","","","","","","","","","","","","","has coordinates","297389","2025-01-21","17:15:57",""