# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-07T22:13:00+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 Physics: Conference Series') 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
"1550125","5.434","0.001","5.434","0.001","10.845","0.0003","90","","90","","90","","320.24","0.08","300","","300","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.125","","Munoz, M; Vera, E; Pineda, T; Guaspud, J","Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies","Journal of Physics: Conference Series","2017","786","","1","7","10.1088/1742-6596/786/1/012028","","","1.78901","","","0.0294","0.0294","","0.0741","0.0741","","","","1.6","","","","","","","has coordinates","211665","2020-10-21","18:00:00",""
"9012756","5.6152","","9.7264","","8.8241","","90","","90","","90","","481.934","","","","","","","","","","","","Theoretical structure","3","C m c 21","C 2c -2","36","","","Akdalaite","- Al5 H O8 -","- Al5 H O8 -","- Al20 H4 O32 -","4","0.5","","Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.","Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,","Journal of Physics: Conference Series","2008","117","","012013","012013","10.1088/1742-6596/117/1/012013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012757","5.6153","","5.6153","","8.8249","","90","","90","","120","","240.983","","","","","","","","","","","","Theoretical structure","3","P 3 1 c","P 3 -2c","159","","","Akdalaite","- Al5 H O8 -","- Al5 H O8 -","- Al10 H2 O16 -","2","0.333333","","Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.","Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,","Journal of Physics: Conference Series","2008","117","","012013","012013","10.1088/1742-6596/117/1/012013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012758","5.6153","","5.6153","","8.8247","","90","","90","","120","","240.978","","","","","","","","","","","","Theoretical structure","3","P 63 m c","P 6c -2c","186","","","Akdalaite","- Al5 H O8 -","- Al5 H O8 -","- Al10 H2 O16 -","2","0.166667","","Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.","Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,","Journal of Physics: Conference Series","2008","117","","012013","012013","10.1088/1742-6596/117/1/012013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""