# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T16:06:31+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 = 4 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
"1010324","5.995","","5.995","","5.995","","90","","90","","90","","215.5","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Helmholz, L","The Crystal Structure of Silver Phosphate","Journal of Chemical Physics","1936","4","","316","322","10.1063/1.1749847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010519","7.42","0.07","4.29","0.04","14.1","","90","","92","","90","","448.6","","","","","","","","","","","","","1","C 1 2 1","C 2y","5","","Polonium","","- Po -","- Po -","- Po12 -","12","3","","Rollier, M A; Hendricks, S B; Maxwell, L R","The Crystal Structure of Polonium by Electron Diffraction","Journal of Chemical Physics","1936","4","","648","652","10.1063/1.1749762","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010520","11.66","0.05","22.34","0.1","6.86","0.03","90","","90","","90","","1786.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Germanium sulfide","","- Ge S2 -","- Ge S2 -","- Ge24 S48 -","24","1.5","","Zachariasen, W H","The Crystal Structure of Germanium Disulphide","Journal of Chemical Physics","1936","4","","618","619","10.1063/1.1749915","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010845","5.7","","5.7","","6.72","","90","","90","","90","","218.3","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Dipotassium hyperoxide","","- K2 O4 -","","","2","0.0625","","Kassatochkin, W; Kotow, W","Structure of Potassium Tetroxide","Journal of Chemical Physics","1936","4","","458","458","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010848","13.2","0.05","7.45","0.02","7.58","0.02","90","","91","","90","","745.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium trithionate","","- O6 S3 Tl2 -","","","4","0.5","","Ketelaar, J A A; Sanders, J K","The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~","Journal of Chemical Physics","1936","4","","621","621","10.1063/1.1749917","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011024","10.2","","5.87","","7.17","","90","","90","","90","","429.3","","","","","","","","","","","","","2","I b a m (a,b,c+1/4)","-I 2 2c (x,y,z-1/4)","72","","Dihydrogen oxide - Ice III","Ice III","- H2 O -","- H2 O -","- H32 O16 -","16","","","McFarlan, R L","The Structure of Ice III","Journal of Chemical Physics","1936","4","","253","259","10.1063/1.1749832","","","","","","","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1011115","8.04","","10.27","","3.82","","90","","90","","90","","315.4","","","","","","","","","","","","synthetic","4","P 21 21 2","P 2 2ab","18","","Ammonium oxalate monohydrate","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Hendriks, S B; Jefferson, M E","Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group","Journal of Chemical Physics","1936","4","","102","107","10.1063/1.1749795","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011161","10.74","","10.74","","8.64","","90","","90","","120","","863.1","","","","","","","","","","","","from Schneeberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011162","11.04","","11.04","","8.71","","90","","90","","120","","919.4","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""