# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:14:03+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 'Materials Chemistry and Physics') AND volume = 77 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
"1531159","3.032","","3.032","","14.96","","90","","90","","120","","119.102","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg5 O4 (O H)2","","- H2 Mg5 O6 -","- H2 Mg5 O6 -","- H2 Mg5 O6 -","1","0.0833333","","Chizmeshya, A.V.G.; Sharma, R.; McKelvy, M.J.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156509","2020-10-21","18:00:00",""
"1531161","3.048","","3.048","","12.362","","90","","90","","120","","99.46","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg4 O3 (O H)2","","- H2 Mg4 O5 -","- H2 Mg4 O5 -","- H2 Mg4 O5 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156511","2020-10-21","18:00:00",""
"1531164","3.053","","3.053","","20.125","","90","","90","","120","","162.45","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg3 O2 (O H)2","","- H2 Mg3 O4 -","- H2 Mg3 O4 -","- H4 Mg6 O8 -","2","0.166667","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156514","2020-10-21","18:00:00",""
"1531167","3.085","","3.085","","7.71","","90","","90","","120","","63.547","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg2 O (O H)2","","- H2 Mg2 O3 -","- H2 Mg2 O3 -","- H2 Mg2 O3 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156517","2020-10-21","18:00:00",""
"1531171","3.112","","3.112","","12.768","","90","","90","","120","","107.086","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg3 O (O H)4","","- H4 Mg3 O5 -","- H4 Mg3 O5 -","- H4 Mg3 O5 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Carpenter, R.W.; Sharma, R.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156521","2020-10-21","18:00:00",""
"1531175","3.143","","3.143","","22.772","","90","","90","","120","","194.814","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg5 O (O H)8","","- H8 Mg5 O9 -","- H8 Mg5 O9 -","- H8 Mg5 O9 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156525","2020-10-21","18:00:00",""
"1532403","3.92663","","3.92663","","15.4805","","90","","90","","90","","238.685","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bi2 (V0.9 Cu0.1) O5.35","","- Bi2 Cu0.1 O5.35 V0.9 -","- Bi2 Cu0.1 O5.352 V0.9 -","- Bi4 Cu0.2 O10.704 V1.8 -","2","0.0625","","Yaremchenko, A.A.; Avdeev, M.; Kharton, V.V.; Kovalevsky, A.Yu.; Naumovich, E.N.; Marques, F.M.B.","Structure and electronic conductivity of Bi2-x Lax V0.9 Cu0.1 O5.5-d","Materials Chemistry and Physics","2002","77","","552","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158110","2020-10-21","18:00:00",""
"1532404","3.93026","","3.93026","","15.4615","","90","","90","","90","","238.833","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Bi1.96 La0.04) (V0.84 Cu0.16) O5.35","","- Bi1.956 Cu0.156 La0.044 O4.676 V0.844 -","- Bi1.956 Cu0.156 La0.044 O5.352 V0.844 -","- Bi3.912 Cu0.312 La0.088 O10.704 V1.688 -","2","0.0625","","Yaremchenko, A.A.; Avdeev, M.; Kharton, V.V.; Kovalevsky, A.Yu.; Naumovich, E.N.; Marques, F.M.B.","Structure and electronic conductivity of Bi2-x Lax V0.9 Cu0.1 O5.5-d","Materials Chemistry and Physics","2002","77","","552","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158111","2020-10-21","18:00:00",""