# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-10T06:16:31+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 = 52 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
"1509725","3.652","","3.652","","9.14","","90","","90","","90","","121.901","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Tm -","- Ag2 Tm -","- Ag4 Tm2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510472","3.644","","3.644","","8.896","","90","","90","","90","","118.128","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Tm -","- Au2 Tm -","- Au4 Tm2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510477","3.633","","3.633","","8.8826","","90","","90","","90","","117.239","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Yb -","- Au2 Yb -","- Au4 Yb2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523903","5.4634","","5.4634","","5.4634","","90","","90","","90","","163.076","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Mg0.1 Mn0.9) Se","","- Mg0.1 Mn0.9 Se -","- Mg0.1 Mn0.9 Se -","- Mg0.4 Mn3.6 Se4 -","4","0.0416667","","Jacobson, A.J.; Fender, B.E.F.","Covalency parameters in Mn Se and Mn Se2","Journal of Chemical Physics","1970","52","","4563","4566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538564","5.4634","","5.4634","","5.4634","","90","","90","","90","","163.076","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mg Mn9 Se10)0.4","","- Mg0.4 Mn3.6 Se4 -","- Mg0.4 Mn3.6 Se4 -","- Mg0.4 Mn3.6 Se4 -","1","0.00520833","","Jacobson, A.J.; Fender, B.E.F.","Covalency parameters in Mn Se and Mn Se2","Journal of Chemical Physics","1970","52","","4563","4566","","","","","","","","","","","","","","","","","","","","","","has coordinates","167219","2020-10-21","18:00:00",""
"9012475","3.957","","3.957","","5.109","","90","","90","","90","","79.996","","","","20.5","","","","406800","","","","Synthetic","1","P 42/m n m","-P 4n 2n","136","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.125","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20.5 K and P = .4068 GPa Note: gamma phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012476","4.05","","4.05","","6.604","","90","","90","","120","","93.81","","","","46","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012477","3.967","","3.967","","6.496","","90","","90","","120","","88.532","","","","46.5","","","","148400","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012478","3.924","","3.924","","6.356","","90","","90","","120","","84.756","","","","49","","","","281800","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012479","3.861","","3.861","","6.265","","90","","90","","120","","80.882","","","","49","","","","418000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012480","5.649","","5.649","","5.649","","90","","90","","90","","180.266","","","","20","","","","","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012481","5.495","","5.495","","5.495","","90","","90","","90","","165.922","","","","20","","","","269000","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012482","5.433","","5.433","","5.433","","90","","90","","90","","160.369","","","","19.6","","","","383500","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""