{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4390","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4388","results":[{"id":"jvasp-93650","created_at":"2022-09-04T14:36:06.055794Z","updated_at":"2022-09-04T14:36:06.055824Z","structure_string":"Sm1 Ge5\n1.0\n4.017684 -0.000000 0.000000\n-0.000000 6.214784 -0.000000\n-2.008842 -3.107393 5.009452\nSm Ge\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.331289 0.539064 0.662579 Ge\n0.668710 0.460936 0.337421 Ge\n0.668710 0.876484 0.337421 Ge\n0.331289 0.123516 0.662579 Ge\n0.000000 0.500000 0.000000 Ge\n","nsites":6,"nelements":2,"elements":["Sm","Ge"],"chemical_system":"Ge-Sm","density":6.817862739756582,"density_atomic":0.04796883999769709,"volume":125.0811985507269,"volume_molar":12.554276401699756,"formula_full":"Sm1 Ge5","formula_reduced":"SmGe5","formula_anonymous":"AB5","energy_above_hull":0.9829931041666664,"spacegroup":71},{"id":"jvasp-93654","created_at":"2022-09-04T14:36:10.518753Z","updated_at":"2022-09-04T14:36:10.518782Z","structure_string":"La1 Co5\n1.0\n0.000000 0.000000 -3.945615\n-2.517946 -4.361209 0.000000\n-2.517378 4.360882 0.000000\nLa Co\n1 5\ndirect\n0.000000 0.999986 0.000001 La\n0.000000 0.333240 0.666596 Co\n0.000000 0.666644 0.333405 Co\n0.500001 0.500028 0.000000 Co\n0.500001 0.500012 0.500017 Co\n0.500001 -0.000005 0.499983 Co\n","nsites":6,"nelements":2,"elements":["La","Co"],"chemical_system":"Co-La","density":8.309540841383308,"density_atomic":0.06924979750233178,"volume":86.64285263502711,"volume_molar":8.696257573601171,"formula_full":"La1 Co5","formula_reduced":"LaCo5","formula_anonymous":"AB5","energy_above_hull":3.3783682500000003,"spacegroup":191},{"id":"jvasp-93658","created_at":"2022-09-04T14:36:14.984308Z","updated_at":"2022-09-04T14:36:14.984342Z","structure_string":"Ce1 Si1 Ni4\n1.0\n0.000000 0.000000 -4.033728\n-2.539879 -4.083447 0.000000\n-2.539879 4.083447 0.000000\nCe Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Si\n0.000000 0.338507 0.661493 Ni\n0.000000 0.661493 0.338507 Ni\n0.500000 -0.000000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Ce","Si","Ni"],"chemical_system":"Ce-Ni-Si","density":7.997435631950066,"density_atomic":0.07170916978932916,"volume":83.67130755560417,"volume_molar":8.398006527884998,"formula_full":"Ce1 Si1 Ni4","formula_reduced":"CeSiNi4","formula_anonymous":"ABC4","energy_above_hull":1.6539222833333336,"spacegroup":65},{"id":"jvasp-9366","created_at":"2022-09-04T14:37:27.978486Z","updated_at":"2022-09-04T14:37:27.978514Z","structure_string":"Ba1 Ca1 Co4 O8\n1.0\n2.641549 -4.575296 -0.000000\n2.641549 4.575296 0.000000\n-0.000000 -0.000000 7.749837\nBa Ca Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.766200 Co\n0.666667 0.333333 0.766200 Co\n0.333333 0.666667 0.233801 Co\n0.666667 0.333333 0.233801 Co\n0.660923 -0.000000 0.697824 O\n-0.000000 0.660923 0.697824 O\n0.339078 0.339078 0.697824 O\n0.339078 -0.000000 0.302177 O\n0.660922 0.660922 0.302177 O\n-0.000000 0.339078 0.302177 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Ca","Co","O"],"chemical_system":"Ba-Ca-Co-O","density":4.796811691251781,"density_atomic":0.0747356135999704,"volume":187.32702289615705,"volume_molar":8.057926428802862,"formula_full":"Ba1 Ca1 Co4 O8","formula_reduced":"BaCa(CoO2)4","formula_anonymous":"ABC4D8","energy_above_hull":2.687344856428571,"spacegroup":162},{"id":"jvasp-93662","created_at":"2022-09-04T14:36:18.150802Z","updated_at":"2022-09-04T14:36:18.150827Z","structure_string":"Sm1 Cd1 Ni4\n1.0\n-3.542089 -3.542089 0.000000\n-3.542089 -0.000000 -3.542089\n-0.000000 -3.542089 -3.542089\nSm Cd Ni\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Cd\n0.878221 0.373926 0.373926 Ni\n0.373926 0.878221 0.373926 Ni\n0.373926 0.373926 0.878221 Ni\n0.373926 0.373926 0.373926 Ni\n","nsites":6,"nelements":3,"elements":["Sm","Cd","Ni"],"chemical_system":"Cd-Ni-Sm","density":9.295499056190454,"density_atomic":0.06750607334920866,"volume":88.88089178231449,"volume_molar":8.920887353123753,"formula_full":"Sm1 Cd1 Ni4","formula_reduced":"SmCdNi4","formula_anonymous":"ABC4","energy_above_hull":0.638431370833333,"spacegroup":216},{"id":"jvasp-93663","created_at":"2022-09-04T14:35:46.429039Z","updated_at":"2022-09-04T14:35:46.429054Z","structure_string":"Cu2 Ge1 S3\n1.0\n0.000000 3.814785 -0.000000\n0.000000 -0.000000 5.303018\n5.605638 -1.907393 -2.651509\nCu Ge S\n2 1 3\ndirect\n0.167582 0.429139 0.335164 Cu\n0.832418 0.093975 0.664836 Cu\n0.499999 0.731905 -0.000000 Ge\n0.331662 0.332462 0.663324 S\n0.668337 0.669139 0.336677 S\n0.000000 0.002381 0.000000 S\n","nsites":6,"nelements":3,"elements":["Cu","Ge","S"],"chemical_system":"Cu-Ge-S","density":4.333267232993393,"density_atomic":0.052909424087967616,"volume":113.40134774524013,"volume_molar":11.381981308259078,"formula_full":"Cu2 Ge1 S3","formula_reduced":"Cu2GeS3","formula_anonymous":"AB2C3","energy_above_hull":0.9799278083333336,"spacegroup":44},{"id":"jvasp-93664","created_at":"2022-09-04T14:35:49.603010Z","updated_at":"2022-09-04T14:35:49.603036Z","structure_string":"Er1 Cd1 Ni4\n1.0\n-3.497006 -3.497006 -0.000000\n-3.497006 0.000000 -3.497006\n0.000000 -3.497006 -3.497006\nEr Cd Ni\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 Cd\n0.877070 0.374311 0.374311 Ni\n0.374311 0.877070 0.374311 Ni\n0.374311 0.374311 0.877070 Ni\n0.374311 0.374311 0.374311 Ni\n","nsites":6,"nelements":3,"elements":["Er","Cd","Ni"],"chemical_system":"Cd-Er-Ni","density":9.987751724937661,"density_atomic":0.07015071831115381,"volume":85.53012919107934,"volume_molar":8.584574620161078,"formula_full":"Er1 Cd1 Ni4","formula_reduced":"ErCdNi4","formula_anonymous":"ABC4","energy_above_hull":0.5996565583333332,"spacegroup":216},{"id":"jvasp-93665","created_at":"2022-09-04T14:35:52.789924Z","updated_at":"2022-09-04T14:35:52.789940Z","structure_string":"Li1 Ti1 Se2 O2\n1.0\n-1.725621 -2.988097 0.004767\n-1.724959 2.987715 -0.000000\n0.016088 0.009288 -9.219921\nLi Ti Se O\n1 1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.335307 0.667654 0.171729 Se\n0.664692 0.332346 0.828271 Se\n0.334668 0.667335 0.564051 O\n0.665331 0.332665 0.435948 O\n","nsites":6,"nelements":4,"elements":["Li","Ti","Se","O"],"chemical_system":"Li-O-Se-Ti","density":4.275095286593981,"density_atomic":0.06311991719871751,"volume":95.05715891721592,"volume_molar":9.540793187419391,"formula_full":"Li1 Ti1 Se2 O2","formula_reduced":"LiTi(SeO)2","formula_anonymous":"ABC2D2","energy_above_hull":2.1281786777777776,"spacegroup":164},{"id":"jvasp-93666","created_at":"2022-09-04T14:35:57.802576Z","updated_at":"2022-09-04T14:35:57.802593Z","structure_string":"Si4 Os2\n1.0\n0.000000 -3.041371 -0.000000\n3.821110 -1.520686 -2.130537\n3.837161 -1.520686 5.414546\nSi Os\n4 2\ndirect\n0.395631 0.313557 0.895185 Si\n0.604372 0.686443 0.104815 Si\n0.858333 0.754677 0.528659 Si\n0.141669 0.245323 0.471341 Si\n0.155714 0.891384 0.797192 Os\n0.844288 0.108616 0.202808 Os\n","nsites":6,"nelements":2,"elements":["Si","Os"],"chemical_system":"Os-Si","density":9.321456262669166,"density_atomic":0.0683460558861892,"volume":87.78853325481259,"volume_molar":8.811248406240372,"formula_full":"Si4 Os2","formula_reduced":"Si2Os","formula_anonymous":"AB2","energy_above_hull":3.512470733333334,"spacegroup":12},{"id":"jvasp-93667","created_at":"2022-09-04T14:36:02.054790Z","updated_at":"2022-09-04T14:36:02.054819Z","structure_string":"Mg2 F4\n1.0\n0.000000 0.000000 3.068498\n4.642279 0.000000 0.000000\n-0.000000 4.646785 0.000000\nMg F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.802632 0.197150 F\n0.500000 0.197368 0.802851 F\n0.000000 0.302632 0.302850 F\n0.000000 0.697369 0.697151 F\n","nsites":6,"nelements":2,"elements":["Mg","F"],"chemical_system":"F-Mg","density":3.1258639424034067,"density_atomic":0.0906445274318747,"volume":66.1926336866767,"volume_molar":6.643689288938082,"formula_full":"Mg2 F4","formula_reduced":"MgF2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":136},{"id":"jvasp-93668","created_at":"2022-09-04T14:36:06.663080Z","updated_at":"2022-09-04T14:36:06.663104Z","structure_string":"U2 Ti1 H3\n1.0\n0.000000 0.000000 -3.706502\n-2.383787 -4.128839 0.000000\n-2.380482 4.126931 0.000000\nU Ti H\n2 1 3\ndirect\n0.500000 0.333225 0.666503 U\n0.500000 0.666723 0.333497 U\n0.000000 0.999965 0.000001 Ti\n0.000000 0.500020 0.500040 H\n0.000000 0.999981 0.499961 H\n0.000000 0.499988 0.000000 H\n","nsites":6,"nelements":3,"elements":["U","Ti","H"],"chemical_system":"H-Ti-U","density":12.00409301664247,"density_atomic":0.08231201188867589,"volume":72.8933707526769,"volume_molar":7.316235652391458,"formula_full":"U2 Ti1 H3","formula_reduced":"U2TiH3","formula_anonymous":"AB2C3","energy_above_hull":4.349466722222222,"spacegroup":191},{"id":"jvasp-9367","created_at":"2022-09-04T14:37:27.531809Z","updated_at":"2022-09-04T14:37:27.531832Z","structure_string":"Ba1 Zn1 Cr4 O8\n1.0\n2.683241 -4.647510 0.000000\n2.683241 4.647510 0.000000\n-0.000000 -0.000000 7.166785\nBa Zn Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.739868 Cr\n0.666667 0.333333 0.739868 Cr\n0.333333 0.666667 0.260131 Cr\n0.666667 0.333333 0.260131 Cr\n0.317733 0.317733 0.678248 O\n0.682267 -0.000000 0.678248 O\n-0.000000 0.682267 0.678248 O\n0.682267 0.682267 0.321751 O\n-0.000000 0.317733 0.321751 O\n0.317733 -0.000000 0.321751 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Zn","Cr","O"],"chemical_system":"Ba-Cr-O-Zn","density":5.004656371583948,"density_atomic":0.07832378195421591,"volume":178.74519910419656,"volume_molar":7.688776779854982,"formula_full":"Ba1 Zn1 Cr4 O8","formula_reduced":"BaZnCr4O8","formula_anonymous":"ABC4D8","energy_above_hull":3.094631712142857,"spacegroup":162}]}