# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T09:12:19+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 'Nature') AND volume = 612 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
"1568136","11.232","0.0016","11.232","0.0016","4.0301","0.0008","90","","90","","90","","508.43","0.14","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.39 O Se4 -","- Cu4 Na4.39 O Se4 -","- Cu8 Na8.78 O2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.051","0.0384","","","0.0856","0.0879","","","","","","0.884","","","","has coordinates","279962","2022-12-21","12:56:44",""
"1568137","15.772","0.003","4.0654","0.0008","20.828","0.004","90","","110.33","0.03","90","","1252.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu11.19 Na10.21 O2 Se10 -","- Cu11.192 Na10.2 O2 Se10 -","- Cu22.384 Na20.4 O4 Se20 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1279","0.0308","","","0.0496","0.0594","","","","","","0.492","","","","has coordinates","279963","2022-12-21","12:58:38",""
"1568138","15.714","0.003","4.0699","0.0008","11.643","0.002","90","","93.15","0.03","90","","743.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.7 Na5.3 O Se6 -","- Cu7.71 Na5.25 O Se6 -","- Cu15.42 Na10.5 O2 Se12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1167","0.0458","","","0.1011","0.1332","","","","","","0.742","","","","has coordinates","279964","2022-12-21","12:59:51",""
"1568139","10.9081","0.0015","10.9081","0.0015","3.886","0.0008","90","","90","","90","","462.38","0.13","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.55 O S4 -","- Cu4 Na4.54 O S4 -","- Cu8 Na9.08 O2 S8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0641","0.025","","","0.0274","0.0311","","","","","","0.485","","","","has coordinates","279965","2022-12-21","13:01:02",""
"1568140","3.936","0.0006","3.936","0.0006","22.003","0.004","90","","90","","120","","295.2","0.08","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu3 Na S2 -","- Cu3 Na S2 -","- Cu9 Na3 S6 -","3","0.0833333","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1067","0.0677","","","0.1626","0.169","","","","","","0.901","","","","has coordinates","279966","2022-12-21","13:04:43",""
"1568141","20.388","0.004","7.7841","0.0016","15.311","0.003","90","","110.9","0.03","90","","2270","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu11.4 Na9.74 O2 S10 -","- Cu11.402 Na9.744 O2 S10 -","- Cu45.608 Na38.976 O8 S40 -","4","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.145","0.0317","","","0.071","0.1091","","","","","","0.507","","","","has coordinates","279967","2022-12-21","13:06:11",""
"1568142","15.278","0.003","3.9247","0.0008","11.324","0.002","90","","91.89","0.03","90","","678.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.43 Na5.34 O S6 -","- Cu7.42 Na5.3333 O S6 -","- Cu14.84 Na10.6666 O2 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.228","0.0711","","","0.1555","0.2104","","","","","","0.533","","","","has coordinates","279968","2022-12-21","13:07:37",""
"1568143","12.335","0.002","12.335","0.002","4.433","0.0008","90","","90","","90","","674.5","0.2","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu3.52 K4.33 O0.88 Se4 -","- Cu3.508 K4.35 O0.86 Se4 -","- Cu7.016 K8.7 O1.72 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0489","0.0385","","","0.091","0.097","","","","","","1.143","","","","has coordinates","279969","2022-12-21","13:09:55",""
"1568144","7.0555","0.0014","4.0808","0.0008","7.9345","0.0016","90","","108.39","0.03","90","","216.78","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu2.78 Na0.84 Se2 -","- Cu2.78 Na0.83 Se2 -","- Cu5.56 Na1.66 Se4 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1577","0.1039","","","0.2562","0.2881","","","","","","0.938","","","","has coordinates","279970","2022-12-21","13:11:55",""
"1568145","3.9745","0.0006","3.9745","0.0006","6.548","0.0013","90","","90","","90","","103.44","0.03","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.59 Li0.42 Na S -","- Cu0.58 Li0.42 Na S -","- Cu1.16 Li0.84 Na2 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0968","0.0789","","","0.1923","0.1975","","","","","","1.123","","","","has coordinates,has disorder","279971","2022-12-21","13:13:37",""
"1568146","4.1307","0.0011","4.1307","0.0011","6.815","0.002","90","","90","","90","","116.28","0.06","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.65 Li0.35 Na Se -","- Cu0.62 Li0.38 Na Se -","- Cu1.24 Li0.76 Na2 Se2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0996","0.0646","","","0.143","0.1565","","","","","","0.646","","","","has coordinates,has disorder","279972","2022-12-21","16:02:01",""
"1568147","3.9191","0.0005","3.9191","0.0005","12.677","0.003","90","","90","","90","","194.71","0.06","293","2","293","2","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba Cu1.42 Li0.58 S2 -","- Ba Cu1.418 Li0.582 S2 -","- Ba2 Cu2.836 Li1.164 S4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0315","0.0278","","","0.0635","0.064","","","","","","1.059","","","","has coordinates,has disorder","279973","2022-12-21","16:03:39",""
"1568148","20.247","0.003","20.247","0.003","3.9958","0.0008","90","","90","","90","","1638","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba18 Cu26.92 Na8 O16 S24 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0599","0.0215","","","0.0501","0.0529","","","","","","0.419","","","","has coordinates","279974","2022-12-21","16:04:47",""
"1568149","4.0442","0.0006","4.0442","0.0006","13.357","0.003","90","","90","","90","","218.46","0.07","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba0.44 Cu2.02 Rb0.56 Se2 -","- Ba0.44 Cu2 Rb0.56 Se2 -","- Ba0.88 Cu4 Rb1.12 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0469","0.0362","","","0.0838","0.0843","","","","","","0.831","","","","has coordinates,has disorder","279975","2022-12-21","16:07:35",""
"1568150","7.1315","0.0014","12.365","0.003","14.892","0.003","90","","99.15","0.03","90","","1296.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba1.89 Cu13.92 Na6 S12 -","- Ba1.893 Cu13.943 Na6 S12 -","- Ba3.786 Cu27.886 Na12 S24 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1356","0.0347","","","0.0689","0.077","","","","","","0.476","","","","has coordinates","279976","2022-12-21","16:08:52",""
"1568151","7.2499","0.0003","12.4798","0.0004","8.3691","0.0004","90","","106.647","0.001","90","","725.48","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0221","0.0209","","","0.0543","0.0553","","","","","","1.186","","","","has coordinates","279977","2022-12-21","16:10:11",""
"1568152","22.188","0.002","4.2597","0.0005","17.111","0.0018","90","","91.544","0.003","90","","1616.6","0.3","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba2 Cu2 Na1.24 O1.25 S3 -","- Ba2 Cu2 Na1.234 O1.25 S3 -","- Ba16 Cu16 Na9.872 O10 S24 -","8","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0432","0.0315","","","0.0775","0.0804","","","","","","0.984","","","","has coordinates","279978","2022-12-21","16:11:58",""
"1568153","19.354","0.004","4.2315","0.0009","12.261","0.003","90","","90","","90","","1004.1","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba1.89 Cu5.56 O Se4 -","- Ba1.89 Cu5.476 O Se4 -","- Ba7.56 Cu21.904 O4 Se16 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1819","0.0413","","","0.0864","0.1077","","","","","","0.413","","","","has coordinates","279979","2022-12-21","16:13:02",""
"1568154","4.1491","0.0006","4.1491","0.0006","19.594","0.004","90","","90","","90","","337.31","0.1","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2.8 O2 Se2 -","- Ba2 Cu2.797 O2 Se2 -","- Ba4 Cu5.594 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0355","0.0293","","","0.0689","0.0695","","","","","","0.905","","","","has coordinates","279980","2022-12-21","16:14:45",""
"1568155","4.2049","0.0006","4.2049","0.0006","19.231","0.004","90","","90","","90","","340.03","0.1","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba4 Cu4 Na1.1 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0336","0.0226","","","0.0398","0.0403","","","","","","0.712","","","","has coordinates","279981","2022-12-21","16:15:58",""
"1568156","4.2047","0.0006","4.2047","0.0006","19.346","0.004","90","","90","","90","","342.03","0.1","293","2","293","2","","","","","","","","5","I 4 m m","I 4 -2","107","","","","- Ba1.59 Cu1.92 K0.41 O1.86 Se2 -","- Ba1.632 Cu2 K0.368 O1.94 Se2 -","- Ba3.264 Cu4 K0.736 O3.88 Se4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.033","0.0239","","","0.0546","0.0552","","","","","","1.011","","","","has coordinates,has disorder","279982","2022-12-21","16:18:24",""
"1568157","4.0099","0.0006","4.0099","0.0006","16.532","0.003","90","","90","","90","","265.82","0.07","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba2 Cu1.79 O3 S -","- Ba2 Cu1.79 O3 S -","- Ba4 Cu3.58 O6 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.057","0.0456","","","0.1133","0.1147","","","","","","0.959","","","","has coordinates","279983","2022-12-21","16:19:31",""
"1568158","7.483","0.0002","16.0919","0.0004","4.1041","0.0001","90","","90","","90","","494.2","0.02","100","","100","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 -","- Ba0.634 Cu1.828 K0.866 S0.906 Se1.094 -","- Ba2.536 Cu7.312 K3.464 S3.624 Se4.376 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Sychrotron","","0.0431","0.0385","","","0.1191","0.1226","","","","","","1.143","","","","has coordinates,has disorder","279984","2022-12-21","16:21:17",""
"1568159","12.9183","0.0018","12.9183","0.0018","4.0117","0.0008","90","","90","","90","","669.48","0.19","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cu10 K2 Se6 -","- Cu10 K2 Se6 -","- Cu20 K4 Se12 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0803","0.0308","","","0.0555","0.062","","","","","","0.577","","","","has coordinates","279985","2022-12-21","16:22:25",""
"1568160","10.561","0.0015","10.561","0.0015","3.974","0.0008","90","","90","","90","","443.24","0.13","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Cu6.09 Rb Se4 -","- Cu6.064 Rb Se4 -","- Cu12.128 Rb2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.2478","0.0586","","","0.0815","0.0999","","","","","","0.441","","","","has coordinates","279986","2022-12-21","16:24:02",""
"1568161","12.1735","0.0002","12.1735","0.0002","12.1735","0.0002","90","","90","","90","","1804.04","0.05","273","2","273.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba4 Cu12 Rb6 Se13 -","- Ba4 Cu12 Rb6 Se13 -","- Ba8 Cu24 Rb12 Se26 -","2","0.0416667","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0257","0.0236","","","0.0614","0.0627","","","","","","1.172","","","","has coordinates","279987","2022-12-21","16:28:02",""
"1568162","7.417","0.0015","15.192","0.003","3.9244","0.0008","90","","90","","90","","442.2","0.15","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cu7.66 Na6 Se8 -","- Cu7.656 Na6 Se8 -","- Cu7.656 Na6 Se8 -","1","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1204","0.0378","","","0.051","0.0576","","","","","","0.465","","","","has coordinates","279988","2022-12-21","16:28:57",""
"1568163","7.2523","0.0002","12.4863","0.0003","8.3687","0.0002","90","","106.661","0.001","90","","726.01","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0182","0.0177","","","0.044","0.0449","","","","","","1.082","","","","has coordinates","279989","2022-12-21","16:30:23",""