# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:09:47+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 = 71 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
"9012486","3.3133","","10.473","","4.374","","90","","90","","90","","151.779","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012487","3.3121","","10.408","","4.35","","90","","90","","90","","149.955","","","","","","","","410000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012488","3.3105","","10.363","","4.335","","90","","90","","90","","148.72","","","","","","","","710000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012489","3.3109","","10.319","","4.317","","90","","90","","90","","147.491","","","","","","","","1020000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012490","3.3109","","10.209","","4.302","","90","","90","","90","","145.412","","","","","","","","1270000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012491","3.3116","","10.26","","4.289","","90","","90","","90","","145.727","","","","","","","","1510000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012492","3.3114","","10.233","","4.278","","90","","90","","90","","144.962","","","","","","","","1730000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012493","3.3111","","10.215","","4.266","","90","","90","","90","","144.288","","","","","","","","1930000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012494","3.3114","","10.189","","4.254","","90","","90","","90","","143.529","","","","","","","","2160000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012495","3.3117","","10.158","","4.243","","90","","90","","90","","142.736","","","","","","","","2430000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012496","3.312","","10.14","","4.229","","90","","90","","90","","142.025","","","","","","","","2660000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""