{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=69","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=67","results":[{"id":"jvasp-120977","created_at":"2022-09-04T14:38:53.723063Z","updated_at":"2022-09-04T14:38:53.723091Z","structure_string":"W1 Cl1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nW Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.017898 W\n0.000000 0.000000 0.233994 Cl\n0.000000 0.000000 0.802300 O\n","nsites":3,"nelements":3,"elements":["W","Cl","O"],"chemical_system":"Cl-O-W","density":1.4981003225231335,"density_atomic":0.011502842018637372,"volume":260.805111914019,"volume_molar":52.353503162459184,"formula_full":"W1 Cl1 O1","formula_reduced":"WClO","formula_anonymous":"ABC","energy_above_hull":3.5037091891666665,"spacegroup":99},{"id":"jvasp-117847","created_at":"2022-09-04T14:38:53.722643Z","updated_at":"2022-09-04T14:38:53.722667Z","structure_string":"P1 Br3\n1.0\n6.647311 0.000000 0.000000\n-3.323656 5.756740 -0.000000\n0.000000 -0.000000 3.529070\nP Br\n1 3\ndirect\n0.000000 0.000000 0.000000 P\n0.350143 0.000000 0.000000 Br\n1.000000 0.350143 0.000000 Br\n0.649856 0.649857 0.000000 Br\n","nsites":4,"nelements":2,"elements":["P","Br"],"chemical_system":"Br-P","density":3.328370192292937,"density_atomic":0.029619457866133476,"volume":135.04636101302688,"volume_molar":20.331704878655604,"formula_full":"P1 Br3","formula_reduced":"PBr3","formula_anonymous":"AB3","energy_above_hull":0.68949445375,"spacegroup":189},{"id":"jvasp-117749","created_at":"2022-09-04T14:38:53.721811Z","updated_at":"2022-09-04T14:38:53.721829Z","structure_string":"Rb1 Bi1 Se1\n1.0\n6.534468 1.306574 0.000000\n1.149493 5.241784 0.000000\n0.000000 0.000000 3.370858\nRb Bi Se\n1 1 1\ndirect\n0.461781 0.101370 0.000000 Rb\n0.046544 -0.191551 0.000000 Bi\n-0.134288 0.398699 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Rb","Bi","Se"],"chemical_system":"Bi-Rb-Se","density":5.616635635299787,"density_atomic":0.027174687437310895,"volume":110.3968539443436,"volume_molar":22.16084646379995,"formula_full":"Rb1 Bi1 Se1","formula_reduced":"RbBiSe","formula_anonymous":"ABC","energy_above_hull":0.2811125555555556,"spacegroup":38},{"id":"jvasp-123493","created_at":"2022-09-04T14:38:53.713241Z","updated_at":"2022-09-04T14:38:53.713264Z","structure_string":"U3 Ir1\n1.0\n2.948321 0.000000 0.000000\n0.000000 5.488670 0.000000\n0.000000 0.000000 4.916095\nU Ir\n3 1\ndirect\n0.500000 0.372500 0.250000 U\n0.500000 0.606039 0.750001 U\n0.000000 0.888501 0.250000 U\n0.000000 0.132960 0.750001 Ir\n","nsites":4,"nelements":2,"elements":["U","Ir"],"chemical_system":"Ir-U","density":18.917367997867927,"density_atomic":0.050280297503023375,"volume":79.55402411370932,"volume_molar":11.977138280929795,"formula_full":"U3 Ir1","formula_reduced":"U3Ir","formula_anonymous":"AB3","energy_above_hull":5.582904775,"spacegroup":25},{"id":"jvasp-120599","created_at":"2022-09-04T14:38:53.711936Z","updated_at":"2022-09-04T14:38:53.711955Z","structure_string":"V6 F24\n1.0\n7.378026 -0.084857 -0.883830\n-0.985950 7.312343 -0.883830\n-0.075049 -0.084857 7.430396\nV F\n6 24\ndirect\n0.551007 0.924028 0.808292 V\n0.924030 0.808291 0.551007 V\n0.191708 0.448992 0.075971 V\n0.808292 0.551006 0.924030 V\n0.075971 0.191708 0.448993 V\n0.448993 0.075971 0.191708 V\n0.045132 0.310404 0.236918 F\n0.270870 0.340082 0.553106 F\n0.659917 0.446894 0.729131 F\n0.310405 0.236917 0.045132 F\n0.962179 0.354446 0.906156 F\n0.897602 0.292503 0.530997 F\n0.707496 0.469002 0.102398 F\n0.645554 0.093844 0.037822 F\n0.236918 0.045132 0.310405 F\n0.553106 0.270869 0.340083 F\n0.292504 0.530996 0.897602 F\n0.340083 0.553105 0.270870 F\n0.729131 0.659916 0.446895 F\n0.093845 0.037821 0.645554 F\n0.689596 0.763082 0.954868 F\n0.446895 0.729130 0.659917 F\n0.102398 0.707495 0.469003 F\n0.037822 0.645553 0.093845 F\n0.354446 0.906154 0.962179 F\n0.763083 0.954867 0.689596 F\n0.906156 0.962177 0.354446 F\n0.530997 0.897601 0.292504 F\n0.954868 0.689594 0.763083 F\n0.469003 0.102398 0.707496 F\n","nsites":30,"nelements":2,"elements":["V","F"],"chemical_system":"F-V","density":3.168561687524472,"density_atomic":0.07516251443237254,"volume":399.13513041121706,"volume_molar":8.012159791991019,"formula_full":"V6 F24","formula_reduced":"VF4","formula_anonymous":"AB4","energy_above_hull":0.2298690660000001,"spacegroup":148},{"id":"jvasp-121006","created_at":"2022-09-04T14:38:53.711267Z","updated_at":"2022-09-04T14:38:53.711293Z","structure_string":"H1 O1 F1\n1.0\n4.285550 0.259300 0.000000\n-1.952784 2.739955 0.000000\n0.000000 0.000000 3.218618\nH O F\n1 1 1\ndirect\n-0.023908 0.242794 0.000000 H\n0.847728 0.894809 0.000000 O\n0.176182 -0.137601 0.000000 F\n","nsites":3,"nelements":3,"elements":["H","O","F"],"chemical_system":"F-H-O","density":1.5165824150630247,"density_atomic":0.07609679986391567,"volume":39.42347122828971,"volume_molar":7.913789766152358,"formula_full":"H1 O1 F1","formula_reduced":"HOF","formula_anonymous":"ABC","energy_above_hull":1.3057879275,"spacegroup":6},{"id":"jvasp-111973","created_at":"2022-09-04T14:38:53.710302Z","updated_at":"2022-09-04T14:38:53.710338Z","structure_string":"Li4 V2 Cr2 O8\n1.0\n5.089535 0.034647 -2.969418\n-1.655811 4.773734 -3.031792\n0.019048 -0.034647 5.892406\nLi V Cr O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 -0.000000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.000000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.758017 0.744498 0.486479 O\n0.748731 0.739169 0.009562 O\n0.229605 0.739168 0.490438 O\n0.241982 0.728460 0.986479 O\n0.758017 0.271539 0.013521 O\n0.770394 0.260831 0.509562 O\n0.251268 0.260830 0.990438 O\n0.241982 0.255502 0.513521 O\n","nsites":16,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.197493527748022,"density_atomic":0.11183846170396645,"volume":143.06348420949843,"volume_molar":5.384677747035231,"formula_full":"Li4 V2 Cr2 O8","formula_reduced":"Li2VCrO4","formula_anonymous":"ABC2D4","energy_above_hull":2.64834695,"spacegroup":74},{"id":"jvasp-119744","created_at":"2022-09-04T14:38:53.703512Z","updated_at":"2022-09-04T14:38:53.703531Z","structure_string":"Li4 Ni3 O6 F1\n1.0\n4.921234 -0.028668 0.635872\n3.217800 3.723591 0.635872\n-0.028453 -0.012917 6.273904\nLi Ni O F\n4 3 6 1\ndirect\n0.424555 0.424553 0.711701 Li\n0.719087 0.719085 0.856832 Li\n0.280914 0.280913 0.143167 Li\n0.575446 0.575445 0.288298 Li\n0.142658 0.142656 0.571890 Ni\n0.000000 0.000000 0.000000 Ni\n0.857343 0.857342 0.428109 Ni\n0.195934 0.195932 0.854374 O\n0.658131 0.658130 0.561043 O\n0.941355 0.941353 0.703697 O\n0.804067 0.804067 0.145625 O\n0.341870 0.341869 0.438956 O\n0.058646 0.058646 0.296302 O\n0.500000 0.500000 -0.000000 F\n","nsites":14,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":4.578869325513142,"density_atomic":0.12107814121149472,"volume":115.62780746315991,"volume_molar":4.973763802238053,"formula_full":"Li4 Ni3 O6 F1","formula_reduced":"Li4Ni3O6F","formula_anonymous":"AB3C4D6","energy_above_hull":1.6639884630357145,"spacegroup":12},{"id":"jvasp-120304","created_at":"2022-09-04T14:38:53.703082Z","updated_at":"2022-09-04T14:38:53.703101Z","structure_string":"Zr1 Al1 N1\n1.0\n2.826291 1.338447 0.000000\n0.486877 6.269268 0.000000\n0.000000 0.000000 3.262968\nZr Al N\n1 1 1\ndirect\n-0.061511 0.411966 0.000000 Zr\n-0.022833 -0.126625 0.000000 Al\n0.302778 0.047968 0.000000 N\n","nsites":3,"nelements":3,"elements":["Zr","Al","N"],"chemical_system":"Al-N-Zr","density":3.9422828826084184,"density_atomic":0.0538701621598838,"volume":55.68945553006056,"volume_molar":11.178991334992837,"formula_full":"Zr1 Al1 N1","formula_reduced":"ZrAlN","formula_anonymous":"ABC","energy_above_hull":3.1706235166666668,"spacegroup":25},{"id":"jvasp-120509","created_at":"2022-09-04T14:38:53.700200Z","updated_at":"2022-09-04T14:38:53.700225Z","structure_string":"Ni4 Ge4 Mo4\n1.0\n4.984119 -0.016277 0.000000\n-2.428440 4.352515 0.000000\n-0.000000 -0.000000 7.481164\nNi Ge Mo\n4 4 4\ndirect\n0.001958 0.998041 0.243260 Ni\n0.001958 0.998041 0.756740 Ni\n0.651481 0.832978 0.500000 Ni\n0.167020 0.348518 0.500000 Ni\n0.166489 0.833509 0.500000 Ge\n0.342799 0.168067 -0.000000 Ge\n0.831932 0.657199 -0.000000 Ge\n0.830731 0.169268 -0.000000 Ge\n0.667458 0.332541 0.324596 Mo\n0.335375 0.664623 0.186248 Mo\n0.335375 0.664623 0.813752 Mo\n0.667458 0.332541 0.675403 Mo\n","nsites":12,"nelements":3,"elements":["Ni","Ge","Mo"],"chemical_system":"Ge-Mo-Ni","density":9.318626270512594,"density_atomic":0.07407564516162544,"volume":161.9965641043994,"volume_molar":8.12971759727547,"formula_full":"Ni4 Ge4 Mo4","formula_reduced":"NiGeMo","formula_anonymous":"ABC","energy_above_hull":2.334684749999999,"spacegroup":38},{"id":"jvasp-118885","created_at":"2022-09-04T14:38:53.699769Z","updated_at":"2022-09-04T14:38:53.699796Z","structure_string":"In1 As1 Se2\n1.0\n2.466369 1.423959 4.934659\n-2.466369 1.423959 4.934659\n0.000000 -2.847918 4.934659\nIn As Se\n1 1 2\ndirect\n0.456276 0.456276 0.456276 In\n0.985885 0.985885 0.985885 As\n0.153312 0.153312 0.153312 Se\n0.655528 0.655528 0.655528 Se\n","nsites":4,"nelements":3,"elements":["In","As","Se"],"chemical_system":"As-In-Se","density":5.551871278557073,"density_atomic":0.038467685439925715,"volume":103.98338122647715,"volume_molar":15.65506396116467,"formula_full":"In1 As1 Se2","formula_reduced":"InAsSe2","formula_anonymous":"ABC2","energy_above_hull":1.1448646133333331,"spacegroup":160},{"id":"jvasp-117812","created_at":"2022-09-04T14:38:53.693832Z","updated_at":"2022-09-04T14:38:53.693854Z","structure_string":"Rb1 In1 Br2\n1.0\n4.760562 0.000000 0.000000\n0.000000 4.760562 0.000000\n0.000000 -0.000000 6.717193\nRb In Br\n1 1 2\ndirect\n0.500000 0.500000 0.504572 Rb\n0.000000 0.000000 0.003887 In\n0.000000 0.000000 0.496824 Br\n0.500000 0.500000 0.004715 Br\n","nsites":4,"nelements":3,"elements":["Rb","In","Br"],"chemical_system":"Br-In-Rb","density":3.927900368343589,"density_atomic":0.026275785828687292,"volume":152.23141283306143,"volume_molar":22.91897490435916,"formula_full":"Rb1 In1 Br2","formula_reduced":"RbInBr2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99}]}