# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-11-05T19:32:52+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 'Scientific Reports') AND volume = 13 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
"3000399","3.2116","0.0001","9.1666","0.0001","8.4581","0.0001","90","","90","","90","","249.002","0.009","","","","","","","","","","","","2","C m c 21","C 2c -2","36","Rhodium gallide (1/3)","","","- Ga12 Rh4 -","- Ga3 Rh -","- Ga12 Rh4 -","4","0.5","","Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian","Isolated Rh atoms in dehydrogenation catalysis","Scientific Reports","2023","13","1","4458","","10.1038/s41598-023-31157-y","","","","","","","","","","","","","","","","","","","","","has coordinates","293369","2024-07-11","06:58:14",""
"3000452","2.7117","","2.7117","","28.776899","","90","","90","","120","","183.256","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289141","2024-01-19","08:01:16",""
"3000453","2.71133","","2.71133","","28.5112","","90","","90","","120","","181.514","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289146","2024-01-19","08:07:50",""
"3000454","2.71174","","2.71174","","28.8244","","90","","90","","120","","183.564","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289142","2024-01-19","08:03:12",""
"3000455","5.05475","","5.05475","","38.8242","","90","","90","","120","","859.078","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289147","2024-01-19","08:08:40",""
"3000456","5.05492","","5.05492","","38.818501","","90","","90","","120","","859.009","","0","","0","","0","","0","","","","","4","P 3 1 m","P 3 -2","157","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289143","2024-01-19","08:04:02",""
"3000457","5.05489","","5.05489","","38.844898","","90","","90","","120","","859.583","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H12 Mg9 O12 -","- C8 H12 Mg9 O12 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289148","2024-01-19","08:09:33",""
"3000458","5.0348","","5.0348","","39.130699","","90","","90","","120","","859.039","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289144","2024-01-19","08:05:10",""
"3000459","5.0346","","5.0346","","39.133801","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289145","2024-01-19","08:06:13",""
"3000460","5.03492","","5.03492","","39.128799","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289149","2024-01-19","08:10:18",""
"3000461","5.02417","","5.02417","","39.2957","","90","","90","","120","","859.022","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289150","2024-01-19","08:10:59",""
"3000462","5.03172","","5.03172","","39.178001","","90","","90","","120","","859.025","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289151","2024-01-19","08:12:32",""
"3000463","5.03194","","5.03194","","39.171398","","90","","90","","120","","858.955","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289152","2024-01-19","08:13:32",""