{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=569","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=567","results":[{"id":"jvasp-16036","created_at":"2022-09-04T14:36:59.660265Z","updated_at":"2022-09-04T14:36:59.660297Z","structure_string":"Ti4 N2\n1.0\n4.953084 -0.000000 0.000000\n0.000000 4.953084 0.000000\n0.000000 0.000000 3.037127\nTi N\n4 2\ndirect\n0.203285 0.796714 0.500000 Ti\n0.703284 0.703284 0.000000 Ti\n0.796714 0.203285 0.500000 Ti\n0.296715 0.296715 0.000000 Ti\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n","nsites":6,"nelements":2,"elements":["Ti","N"],"chemical_system":"N-Ti","density":4.891392124059208,"density_atomic":0.08052614543269597,"volume":74.50996155049816,"volume_molar":7.478491274654798,"formula_full":"Ti4 N2","formula_reduced":"Ti2N","formula_anonymous":"AB2","energy_above_hull":3.3178599722222226,"spacegroup":136},{"id":"jvasp-34353","created_at":"2022-09-04T14:37:12.986463Z","updated_at":"2022-09-04T14:37:12.986483Z","structure_string":"Ti4 Mn8 O16\n1.0\n5.940034 0.000000 0.000000\n-0.000000 5.940034 -0.000000\n-0.000000 0.000000 8.459342\nTi Mn O\n4 8 16\ndirect\n0.500000 0.238355 0.000000 Ti\n0.761645 0.500000 0.750000 Ti\n0.238355 0.500000 0.250000 Ti\n0.500000 0.761645 0.500000 Ti\n0.751950 0.751950 0.125000 Mn\n0.248049 0.751950 0.875000 Mn\n0.248049 0.248049 0.625000 Mn\n0.751950 0.248049 0.375000 Mn\n0.249803 0.000000 0.250000 Mn\n0.750196 0.000000 0.750000 Mn\n0.000000 0.249803 0.000000 Mn\n0.000000 0.750196 0.500000 Mn\n0.249805 0.477537 0.010220 O\n0.750194 0.522463 0.510219 O\n0.750194 0.477537 0.989780 O\n0.249805 0.522463 0.489780 O\n0.477537 0.750194 0.260219 O\n0.522463 0.249805 0.760219 O\n0.981340 0.756957 0.735379 O\n0.981340 0.243042 0.764620 O\n0.756957 0.981340 0.514620 O\n0.756957 0.018659 -0.014620 O\n0.243042 0.981340 0.485379 O\n0.018659 0.756957 0.264620 O\n0.477537 0.249805 0.239780 O\n0.243042 0.018659 1.014620 O\n0.018659 0.243042 0.235380 O\n0.522463 0.750194 0.739780 O\n","nsites":28,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.934464608937499,"density_atomic":0.09380880127310166,"volume":298.4794562983996,"volume_molar":6.4195903564186825,"formula_full":"Ti4 Mn8 O16","formula_reduced":"TiMn2O4","formula_anonymous":"AB2C4","energy_above_hull":3.265065259441708,"spacegroup":95},{"id":"jvasp-111910","created_at":"2022-09-04T14:38:48.413470Z","updated_at":"2022-09-04T14:38:48.413481Z","structure_string":"Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n","nsites":28,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.520159235693993,"density_atomic":0.08593246746485353,"volume":325.837262981562,"volume_molar":7.0079923661717975,"formula_full":"Ti4 Mn8 O16","formula_reduced":"TiMn2O4","formula_anonymous":"AB2C4","energy_above_hull":3.259430973727422,"spacegroup":95},{"id":"jvasp-20252","created_at":"2022-09-04T14:37:51.466923Z","updated_at":"2022-09-04T14:37:51.466943Z","structure_string":"Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n","nsites":12,"nelements":2,"elements":["Ti","Mn"],"chemical_system":"Mn-Ti","density":6.958763070272373,"density_atomic":0.07969918188965115,"volume":150.56616285741555,"volume_molar":7.556088553503668,"formula_full":"Ti4 Mn8","formula_reduced":"TiMn2","formula_anonymous":"AB2","energy_above_hull":3.5463676053639848,"spacegroup":194},{"id":"jvasp-57382","created_at":"2022-09-04T14:37:01.936273Z","updated_at":"2022-09-04T14:37:01.936309Z","structure_string":"Ti4 Mn4 O12\n1.0\n5.163134 0.000000 0.000000\n0.000000 5.346492 0.000000\n0.000000 0.000000 7.531980\nTi Mn O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.009597 0.950930 0.750000 Mn\n0.990403 0.049069 0.250000 Mn\n0.509596 0.549069 0.250000 Mn\n0.490403 0.450930 0.750000 Mn\n0.381388 0.948969 0.250000 O\n0.118611 0.448969 0.250000 O\n0.618611 0.051031 0.750000 O\n0.683671 0.311168 0.062249 O\n0.881388 0.551031 0.750000 O\n0.316328 0.688832 0.937751 O\n0.816327 0.811167 0.437751 O\n0.183672 0.188832 0.937751 O\n0.683671 0.311168 0.437751 O\n0.816327 0.811167 0.062249 O\n0.183672 0.188832 0.562249 O\n0.316328 0.688832 0.562249 O\n","nsites":20,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.817572949383365,"density_atomic":0.0961919036715057,"volume":207.91770654939717,"volume_molar":6.260548476684218,"formula_full":"Ti4 Mn4 O12","formula_reduced":"TiMnO3","formula_anonymous":"ABC3","energy_above_hull":2.7537832149425285,"spacegroup":62},{"id":"jvasp-56656","created_at":"2022-09-04T14:38:33.033431Z","updated_at":"2022-09-04T14:38:33.033461Z","structure_string":"Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n","nsites":14,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.543101580332654,"density_atomic":0.08921353575274935,"volume":156.9268596057023,"volume_molar":6.750254554073553,"formula_full":"Ti4 Mn2 O8","formula_reduced":"Ti2MnO4","formula_anonymous":"AB2C4","energy_above_hull":3.1293082725779966,"spacegroup":227},{"id":"jvasp-89055","created_at":"2022-09-04T14:35:48.278937Z","updated_at":"2022-09-04T14:35:48.278961Z","structure_string":"Ti4 Mn1 P6 O24\n1.0\n7.432775 -0.038996 4.284187\n2.457151 7.014989 4.284189\n-0.055287 -0.038999 8.578890\nTi Mn P O\n4 1 6 24\ndirect\n0.867484 0.867484 0.867484 Ti\n0.354018 0.354017 0.354018 Ti\n0.132516 0.132516 0.132516 Ti\n0.645983 0.645982 0.645983 Ti\n0.500000 0.500000 0.500000 Mn\n0.956036 0.253119 0.530746 P\n0.043964 0.746880 0.469254 P\n0.469254 0.043964 0.746880 P\n0.530746 0.956035 0.253120 P\n0.253119 0.530746 0.956036 P\n0.746881 0.469254 0.043965 P\n0.444333 0.237635 0.582586 O\n0.117192 0.317464 0.488953 O\n0.417414 0.555666 0.762365 O\n0.555667 0.762365 0.417414 O\n0.762365 0.417413 0.555667 O\n0.582586 0.444333 0.237635 O\n0.912472 0.281220 0.053829 O\n0.634960 0.006021 0.796486 O\n0.281220 0.053828 0.912472 O\n0.053828 0.912472 0.281220 O\n0.087528 0.718780 0.946172 O\n0.718780 0.946171 0.087529 O\n0.946172 0.087528 0.718780 O\n0.682536 0.511047 0.882808 O\n0.796486 0.634959 0.006022 O\n0.511047 0.882808 0.682536 O\n0.317464 0.488953 0.117192 O\n0.488953 0.117192 0.317464 O\n0.993979 0.203514 0.365041 O\n0.365041 0.993978 0.203515 O\n0.203514 0.365040 0.993979 O\n0.006021 0.796485 0.634960 O\n0.882808 0.682535 0.511047 O\n0.237635 0.582586 0.444334 O\n","nsites":35,"nelements":4,"elements":["Ti","Mn","P","O"],"chemical_system":"Mn-O-P-Ti","density":3.0077333041550376,"density_atomic":0.07766824196182097,"volume":450.6346367052417,"volume_molar":7.753672038772652,"formula_full":"Ti4 Mn1 P6 O24","formula_reduced":"Ti4Mn(PO4)6","formula_anonymous":"AB4C6D24","energy_above_hull":3.444759073563218,"spacegroup":148},{"id":"jvasp-35609","created_at":"2022-09-04T14:37:33.577124Z","updated_at":"2022-09-04T14:37:33.577143Z","structure_string":"Ti4 In2 N2\n1.0\n1.552297 -2.688657 -0.000000\n1.552297 2.688657 0.000000\n0.000000 -0.000000 13.935118\nTi In N\n4 2 2\ndirect\n0.666668 0.333334 0.421111 Ti\n0.333334 0.666668 0.578889 Ti\n0.333334 0.666668 0.921112 Ti\n0.666668 0.333334 0.078889 Ti\n0.666668 0.333334 0.750000 In\n0.333334 0.666668 0.250000 In\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n","nsites":8,"nelements":3,"elements":["Ti","In","N"],"chemical_system":"In-N-Ti","density":6.411477354198214,"density_atomic":0.06877634956005196,"volume":116.31905518647528,"volume_molar":8.756121542539528,"formula_full":"Ti4 In2 N2","formula_reduced":"Ti2InN","formula_anonymous":"ABC2","energy_above_hull":2.787817471666667,"spacegroup":194},{"id":"jvasp-110977","created_at":"2022-09-04T14:38:37.845262Z","updated_at":"2022-09-04T14:38:37.845283Z","structure_string":"Ti4 In2 Co1 Ni1\n1.0\n4.329031 -0.000380 6.520526\n1.967171 3.856261 6.520526\n-0.000621 -0.000380 7.826734\nTi In Co Ni\n4 2 1 1\ndirect\n0.124481 0.124481 0.124481 Ti\n0.625366 0.625366 0.625367 Ti\n0.374633 0.374633 0.374634 Ti\n0.875519 0.875519 0.875520 Ti\n0.750122 0.750123 0.750124 In\n0.249877 0.249877 0.249878 In\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500001 Ni\n","nsites":8,"nelements":4,"elements":["Ti","In","Co","Ni"],"chemical_system":"Co-In-Ni-Ti","density":6.845296285092825,"density_atomic":0.061215513905580186,"volume":130.68582602017082,"volume_molar":9.83760549537924,"formula_full":"Ti4 In2 Co1 Ni1","formula_reduced":"Ti4In2CoNi","formula_anonymous":"ABC2D4","energy_above_hull":2.7060758216666665,"spacegroup":166},{"id":"jvasp-14013","created_at":"2022-09-04T14:38:02.613449Z","updated_at":"2022-09-04T14:38:02.613462Z","structure_string":"Ti4 In2 C2\n1.0\n1.573524 -2.725425 -0.000000\n1.573524 2.725425 -0.000000\n0.000000 0.000000 14.135347\nTi In C\n4 2 2\ndirect\n0.333331 0.666666 0.921276 Ti\n0.333331 0.666666 0.578725 Ti\n0.666666 0.333331 0.421276 Ti\n0.666666 0.333331 0.078724 Ti\n0.333331 0.666666 0.250000 In\n0.666666 0.333331 0.750000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Ti","In","C"],"chemical_system":"C-In-Ti","density":6.096595734643778,"density_atomic":0.06598510475210481,"volume":121.23948321450248,"volume_molar":9.126515419842391,"formula_full":"Ti4 In2 C2","formula_reduced":"Ti2InC","formula_anonymous":"ABC2","energy_above_hull":3.1170866591666675,"spacegroup":194},{"id":"jvasp-17669","created_at":"2022-09-04T14:38:13.857552Z","updated_at":"2022-09-04T14:38:13.857568Z","structure_string":"Ti4 In2 C2\n1.0\n1.573524 -2.725425 -0.000000\n1.573524 2.725425 0.000000\n-0.000000 0.000000 14.135347\nTi In C\n4 2 2\ndirect\n0.333331 0.666666 0.921276 Ti\n0.333331 0.666666 0.578725 Ti\n0.666666 0.333331 0.421276 Ti\n0.666666 0.333331 0.078724 Ti\n0.333331 0.666666 0.250000 In\n0.666666 0.333331 0.750000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Ti","In","C"],"chemical_system":"C-In-Ti","density":6.096595734643778,"density_atomic":0.06598510475210481,"volume":121.23948321450248,"volume_molar":9.126515419842391,"formula_full":"Ti4 In2 C2","formula_reduced":"Ti2InC","formula_anonymous":"ABC2","energy_above_hull":3.1170866591666675,"spacegroup":194},{"id":"jvasp-4243","created_at":"2022-09-04T14:37:12.001810Z","updated_at":"2022-09-04T14:37:12.001835Z","structure_string":"Ti4 I12\n1.0\n6.413556 0.000000 0.000000\n0.000000 7.151469 0.000000\n0.000000 0.000000 12.372171\nTi I\n4 12\ndirect\n0.728562 0.753418 0.500000 Ti\n0.228562 0.246582 0.000000 Ti\n0.271438 0.753418 0.500000 Ti\n0.771439 0.246582 0.000000 Ti\n0.500000 0.590039 0.336976 I\n0.000000 0.409961 0.163024 I\n0.500000 0.590039 0.663024 I\n0.000000 0.409961 0.836976 I\n0.500000 0.090207 0.842856 I\n0.000000 0.909794 0.657144 I\n0.500000 0.090207 0.157144 I\n0.000000 0.909794 0.342856 I\n0.500000 0.078942 0.500000 I\n0.000000 0.921058 0.000000 I\n0.500000 0.560868 0.000000 I\n0.000000 0.439132 0.500000 I\n","nsites":16,"nelements":2,"elements":["Ti","I"],"chemical_system":"I-Ti","density":5.016506038046006,"density_atomic":0.028195507578092922,"volume":567.4662871624105,"volume_molar":21.358511611541356,"formula_full":"Ti4 I12","formula_reduced":"TiI3","formula_anonymous":"AB3","energy_above_hull":0.5108467895833333,"spacegroup":59}]}