{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=20","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=18","results":[{"id":"jvasp-99899","created_at":"2022-09-04T14:36:17.522355Z","updated_at":"2022-09-04T14:36:17.522380Z","structure_string":"Zr3 Se4\n1.0\n6.600217 -0.033414 0.000000\n-1.990970 6.292855 0.000000\n0.000000 0.000000 3.801261\nZr Se\n3 4\ndirect\n-0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n0.736022 0.263978 0.500000 Se\n0.741960 0.741959 0.000000 Se\n0.263978 0.736022 0.500000 Se\n0.258041 0.258041 0.000000 Se\n","nsites":7,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":6.210181528814534,"density_atomic":0.04440793593212368,"volume":157.6294834035815,"volume_molar":13.560956242606455,"formula_full":"Zr3 Se4","formula_reduced":"Zr3Se4","formula_anonymous":"A3B4","energy_above_hull":2.822809566666667,"spacegroup":65},{"id":"jvasp-110118","created_at":"2022-09-04T14:38:16.933905Z","updated_at":"2022-09-04T14:38:16.933925Z","structure_string":"Zr3 Se2\n1.0\n3.435343 0.000000 0.000000\n-1.717671 2.975095 0.000000\n0.000000 0.000000 10.621544\nZr Se\n3 2\ndirect\n0.000000 0.000000 0.355062 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.644937 Zr\n0.666666 0.333333 0.178122 Se\n0.666666 0.333333 0.821878 Se\n","nsites":5,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":6.601823167586391,"density_atomic":0.04605867161760821,"volume":108.55719073948502,"volume_molar":13.074933662866947,"formula_full":"Zr3 Se2","formula_reduced":"Zr3Se2","formula_anonymous":"A2B3","energy_above_hull":3.1722620466666664,"spacegroup":187},{"id":"jvasp-104668","created_at":"2022-09-04T14:37:11.210696Z","updated_at":"2022-09-04T14:37:11.210723Z","structure_string":"Zr3 S4\n1.0\n6.295876 0.019199 0.000000\n-1.997143 5.970749 0.000000\n0.000000 0.000000 3.666577\nZr S\n3 4\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255361 0.255361 0.500000 S\n0.744640 0.744639 0.500000 S\n0.738397 0.261603 -0.000000 S\n0.261604 0.738397 -0.000000 S\n","nsites":7,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":4.837412629065717,"density_atomic":0.050735213527541644,"volume":137.97123365214665,"volume_molar":11.869745569772515,"formula_full":"Zr3 S4","formula_reduced":"Zr3S4","formula_anonymous":"A3B4","energy_above_hull":3.0956247857142856,"spacegroup":65},{"id":"jvasp-107264","created_at":"2022-09-04T14:37:01.875235Z","updated_at":"2022-09-04T14:37:01.875243Z","structure_string":"Zr3 S2\n1.0\n4.640474 0.013697 1.370566\n1.028078 4.525179 1.370566\n0.017106 0.013697 4.838610\nZr S\n3 2\ndirect\n0.160188 0.839813 0.500001 Zr\n0.500000 0.160189 0.839812 Zr\n0.839811 0.500001 0.160189 Zr\n0.335654 0.335654 0.335654 S\n0.664346 0.664347 0.664347 S\n","nsites":5,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":5.5338452213745875,"density_atomic":0.0493271130406092,"volume":101.36413205215727,"volume_molar":12.208581424666376,"formula_full":"Zr3 S2","formula_reduced":"Zr3S2","formula_anonymous":"A2B3","energy_above_hull":3.3276347,"spacegroup":155},{"id":"jvasp-103640","created_at":"2022-09-04T14:36:50.945818Z","updated_at":"2022-09-04T14:36:50.945842Z","structure_string":"Zr3 Rh1\n1.0\n3.750618 -0.009713 -4.342553\n-0.526486 3.713494 -4.342553\n0.008455 0.009713 5.738016\nZr Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.249999 0.749999 0.499999 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":2,"elements":["Zr","Rh"],"chemical_system":"Rh-Zr","density":7.7964192429637755,"density_atomic":0.04987141730063618,"volume":80.20626275541952,"volume_molar":12.075335103667046,"formula_full":"Zr3 Rh1","formula_reduced":"Zr3Rh","formula_anonymous":"AB3","energy_above_hull":3.880844125,"spacegroup":139},{"id":"jvasp-79372","created_at":"2022-09-04T14:37:11.958195Z","updated_at":"2022-09-04T14:37:11.958225Z","structure_string":"Zr3 Pt1\n1.0\n4.332746 -0.000000 0.000000\n-0.000000 4.332746 0.000000\n-0.000000 -0.000000 4.332746\nZr Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":2,"elements":["Zr","Pt"],"chemical_system":"Pt-Zr","density":9.569874603853277,"density_atomic":0.04917793644443571,"volume":81.3372884102091,"volume_molar":12.245614996074895,"formula_full":"Zr3 Pt1","formula_reduced":"Zr3Pt","formula_anonymous":"AB3","energy_above_hull":3.769988725,"spacegroup":221},{"id":"jvasp-101040","created_at":"2022-09-04T14:36:33.470004Z","updated_at":"2022-09-04T14:36:33.470020Z","structure_string":"Zr3 Pb1\n1.0\n4.047022 0.000924 -4.047057\n-0.693707 3.987124 -4.047057\n-0.000777 -0.000924 5.723378\nZr Pb\n3 1\ndirect\n0.749999 0.250000 0.499999 Zr\n0.249999 0.749999 0.499998 Zr\n0.499999 0.499999 -0.000002 Zr\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":2,"elements":["Zr","Pb"],"chemical_system":"Pb-Zr","density":8.648801485508118,"density_atomic":0.043324876448640144,"volume":92.32571048971911,"volume_molar":13.899960608402427,"formula_full":"Zr3 Pb1","formula_reduced":"Zr3Pb","formula_anonymous":"AB3","energy_above_hull":3.25070358,"spacegroup":139},{"id":"jvasp-107152","created_at":"2022-09-04T14:38:45.999147Z","updated_at":"2022-09-04T14:38:45.999169Z","structure_string":"Zr3 P3 Ru3\n1.0\n6.485681 -0.000000 0.000000\n-3.242841 5.616764 0.000000\n0.000000 0.000000 3.819961\nZr P Ru\n3 3 3\ndirect\n0.415357 0.415357 0.500000 Zr\n0.584643 0.000000 0.500000 Zr\n-0.000000 0.584643 0.500000 Zr\n0.666667 0.333333 -0.000000 P\n0.333333 0.666666 -0.000000 P\n0.000000 0.000000 0.500000 P\n0.754948 0.754947 -0.000000 Ru\n0.245052 0.000000 -0.000000 Ru\n-0.000000 0.245052 -0.000000 Ru\n","nsites":9,"nelements":3,"elements":["Zr","P","Ru"],"chemical_system":"P-Ru-Zr","density":7.992739927154934,"density_atomic":0.06467580158218234,"volume":139.15560039196217,"volume_molar":9.31127347891897,"formula_full":"Zr3 P3 Ru3","formula_reduced":"ZrPRu","formula_anonymous":"ABC","energy_above_hull":3.1219268333333337,"spacegroup":189},{"id":"jvasp-17327","created_at":"2022-09-04T14:38:04.554503Z","updated_at":"2022-09-04T14:38:04.554530Z","structure_string":"Zr3 P1 O2\n1.0\n1.715912 -2.972048 -0.000000\n1.715912 2.972048 0.000000\n0.000000 0.000000 8.389209\nZr P O\n3 1 2\ndirect\n0.666666 0.333332 0.701776 Zr\n0.333332 0.666666 0.298224 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 P\n0.666666 0.333332 0.142153 O\n0.333332 0.666666 0.857847 O\n","nsites":6,"nelements":3,"elements":["Zr","P","O"],"chemical_system":"O-P-Zr","density":6.533093301308667,"density_atomic":0.070121211354586,"volume":85.56612020946774,"volume_molar":8.58818700314159,"formula_full":"Zr3 P1 O2","formula_reduced":"Zr3PO2","formula_anonymous":"AB2C3","energy_above_hull":3.488767666666667,"spacegroup":164},{"id":"jvasp-43398","created_at":"2022-09-04T14:38:28.444116Z","updated_at":"2022-09-04T14:38:28.444136Z","structure_string":"Zr3 O6\n1.0\n5.449486 -0.024381 -0.005779\n-1.955834 5.086788 -0.014232\n-1.714156 -2.475612 4.915448\nZr O\n3 6\ndirect\n0.810109 0.671292 0.980666 Zr\n0.174325 0.307029 0.980634 Zr\n0.992221 0.489164 0.480651 Zr\n0.168462 0.665392 0.251257 O\n0.026660 0.863680 0.767309 O\n0.617717 0.454857 0.194076 O\n0.957775 0.114638 0.193992 O\n0.366715 0.523474 0.767230 O\n0.815971 0.312926 0.710039 O\n","nsites":9,"nelements":2,"elements":["Zr","O"],"chemical_system":"O-Zr","density":4.521815831217735,"density_atomic":0.06629701184147753,"volume":135.7527247460241,"volume_molar":9.083577966378806,"formula_full":"Zr3 O6","formula_reduced":"ZrO2","formula_anonymous":"AB2","energy_above_hull":1.514403833333334,"spacegroup":12},{"id":"jvasp-110953","created_at":"2022-09-04T14:38:37.133386Z","updated_at":"2022-09-04T14:38:37.133409Z","structure_string":"Zr3 Nb1 C4\n1.0\n3.255569 -0.000199 10.435302\n1.589829 2.840981 10.435302\n-0.000340 -0.000199 10.931343\nZr Nb C\n3 1 4\ndirect\n0.251259 0.251258 0.251258 Zr\n0.500000 0.500000 0.500000 Zr\n0.748742 0.748741 0.748741 Zr\n0.000000 0.000000 0.000000 Nb\n0.372682 0.372681 0.372681 C\n0.124200 0.124200 0.124200 C\n0.627319 0.627318 0.627318 C\n0.875801 0.875799 0.875800 C\n","nsites":8,"nelements":3,"elements":["Zr","Nb","C"],"chemical_system":"C-Nb-Zr","density":6.808615609920696,"density_atomic":0.0791130672057713,"volume":101.12109519394794,"volume_molar":7.612068363291424,"formula_full":"Zr3 Nb1 C4","formula_reduced":"Zr3NbC4","formula_anonymous":"AB3C4","energy_above_hull":6.085785362499999,"spacegroup":166},{"id":"jvasp-49777","created_at":"2022-09-04T14:35:54.915285Z","updated_at":"2022-09-04T14:35:54.915314Z","structure_string":"Zr3 N4\n1.0\n-0.710576 3.373382 -0.000000\n-7.982318 -3.442941 -0.041347\n-0.710576 1.611853 2.963383\nZr N\n3 4\ndirect\n0.444600 0.666899 0.777699 Zr\n0.555401 0.333102 0.222299 Zr\n0.000000 0.000000 0.000000 Zr\n0.243409 0.865113 0.378295 N\n0.735830 0.603744 0.132085 N\n0.264171 0.396258 0.867913 N\n0.756592 0.134888 0.621704 N\n","nsites":7,"nelements":2,"elements":["Zr","N"],"chemical_system":"N-Zr","density":6.285780893937313,"density_atomic":0.08036941638860509,"volume":87.09780802878234,"volume_molar":7.493075140525505,"formula_full":"Zr3 N4","formula_reduced":"Zr3N4","formula_anonymous":"A3B4","energy_above_hull":5.224113785714285,"spacegroup":166}]}