# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:17:24+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 = 85 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
"1543079","6.7004","0.0001","6.7004","0.0001","6.7004","0.0001","90","","90","","90","","300.817","0.008","","","693","","","","101.325","","","","","3","F -4 3 m","F -4 2 3","216","Magnesium Silver Antimonide","","","- Ag4 Mg4 Sb4 -","- Ag Mg Sb -","- Ag4 Mg4 Sb4 -","4","0.0416667","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","14","144120","","10.1103/PhysRevB.85.144120","","x-ray","1.5406","CuKα","","0.061562","","","","","","","","","","","","","","","has coordinates","182015","2020-10-21","18:00:00",""
"1543080","4.41991","0.00008","4.41991","0.00008","6.8896","0.0002","90","","90","","90","","134.593","0.005","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ag2 Mg2 Sb2 -","- Ag Mg Sb -","- Ag2 Mg2 Sb2 -","2","0.125","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","14","144120","","10.1103/PhysRevB.85.144120","","","","","","0.0387841","","","","","","","","","","","","","","","has coordinates","182016","2020-10-21","18:00:00",""
"1543081","9.1761","0.0004","9.1761","0.0004","12.696","0.0007","90","","90","","90","","1069.01","0.09","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Ag16 Mg16 Sb16 -","- Ag Mg Sb -","- Ag16 Mg16 Sb16 -","16","1","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","","144120","","","","","","","","0.020997","","","","","","","","","","","","","","","has coordinates","182017","2020-10-21","18:00:00",""