# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:27:01+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 'ACS Earth and Space Chemistry') AND volume = 6 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
"4519319","6.994","0.005","6.994","0.005","9.897","0.004","90","","90","","90","","484.1","0.5","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C2 Ca O5 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","0.5","","König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle","ACS Earth and Space Chemistry","2022","6","1","73","80","10.1021/acsearthspacechem.1c00284","","x-ray","0.2905","synchrotron","","0.1355","0.0667","","","0.0646","0.0873","","","","1.51","1.51","1.3","","","","has coordinates","272490","2022-02-03","21:35:45",""
"4519447","5.1227","","5.1227","","17.2957","","90","","90","","120","","393.067","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Radium Magnesium Carbonate","","- C2 Mg O6 Ra -","- C2 Mg O6 Ra -","- C6 Mg3 O18 Ra3 -","3","0.0833333","","Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio","New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations","ACS Earth and Space Chemistry","2022","6","10","2360","2367","10.1021/acsearthspacechem.2c00100","","","","","","","","","","","","","","","","","","","","","has coordinates","282351","2023-04-04","13:22:14",""