{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3441","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3439","results":[{"id":"jvasp-12134","created_at":"2022-09-04T14:37:13.733103Z","updated_at":"2022-09-04T14:37:13.733131Z","structure_string":"Hf2 Ge2 Te8\n1.0\n4.020014 0.000000 -0.000000\n-2.010007 8.120589 -0.000000\n-0.000000 -0.000000 11.107563\nHf Ge Te\n2 2 8\ndirect\n0.348003 0.696009 0.271863 Hf\n0.651995 0.303991 0.771862 Hf\n0.227885 0.455771 0.460596 Ge\n0.772114 0.544229 0.960596 Ge\n0.276022 0.552046 0.698009 Te\n0.381174 0.762351 0.000637 Te\n0.723976 0.447954 0.198009 Te\n0.981490 0.962982 0.241106 Te\n0.101805 0.203612 0.959949 Te\n0.898193 0.796388 0.459949 Te\n0.018509 0.037018 0.741105 Te\n0.618825 0.237650 0.500637 Te\n","nsites":12,"nelements":3,"elements":["Hf","Ge","Te"],"chemical_system":"Ge-Hf-Te","density":6.974807545336096,"density_atomic":0.033093855390941514,"volume":362.60507753607493,"volume_molar":18.19715681010798,"formula_full":"Hf2 Ge2 Te8","formula_reduced":"HfGeTe4","formula_anonymous":"ABC4","energy_above_hull":1.7597316694444447,"spacegroup":36},{"id":"jvasp-29119","created_at":"2022-09-04T14:37:08.816857Z","updated_at":"2022-09-04T14:37:08.816868Z","structure_string":"Te2 Mo2 W2 Se4 S2\n1.0\n3.345557 0.000008 -0.000791\n-1.672772 2.897318 0.000778\n-0.008131 0.004188 33.624722\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.664906 0.331167 0.024869 Te\n0.665290 0.330733 0.137969 Te\n0.331749 0.664288 0.081351 Mo\n0.333150 0.665979 0.471504 Mo\n0.667038 0.334337 0.282762 W\n0.667993 0.335240 0.667281 W\n0.334914 0.668534 0.717060 Se\n0.666338 0.332961 0.421940 Se\n0.666667 0.332588 0.521073 Se\n0.334508 0.668776 0.617431 Se\n0.333809 0.667393 0.328122 S\n0.333654 0.668017 0.237388 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":6.086883623025406,"density_atomic":0.03681776131537535,"volume":325.92964838926036,"volume_molar":16.356618503811944,"formula_full":"Te2 Mo2 W2 Se4 S2","formula_reduced":"TeMoWSe2S","formula_anonymous":"ABCDE2","energy_above_hull":3.526921733333334,"spacegroup":156},{"id":"jvasp-52333","created_at":"2022-09-04T14:37:08.788906Z","updated_at":"2022-09-04T14:37:08.788927Z","structure_string":"Li4 Cu4 S4\n1.0\n3.971358 0.000000 0.000000\n0.000000 6.619019 0.000000\n0.000000 0.000000 7.788615\nLi Cu S\n4 4 4\ndirect\n0.000000 0.111726 0.076236 Li\n0.000000 0.888274 0.576236 Li\n0.500000 0.388230 0.899001 Li\n0.500000 0.611770 0.399002 Li\n0.000000 0.487258 0.204106 Cu\n0.000000 0.512742 0.704106 Cu\n0.500000 0.987308 0.271347 Cu\n0.500000 0.012692 0.771347 Cu\n0.000000 0.820845 0.273527 S\n0.000000 0.179155 0.773527 S\n0.500000 0.320826 0.201751 S\n0.500000 0.679174 0.701751 S\n","nsites":12,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":3.327057605076295,"density_atomic":0.058612243217066345,"volume":204.73538191600753,"volume_molar":10.2745440704213,"formula_full":"Li4 Cu4 S4","formula_reduced":"LiCuS","formula_anonymous":"ABC","energy_above_hull":0.3855168166666668,"spacegroup":62},{"id":"jvasp-49864","created_at":"2022-09-04T14:37:12.793104Z","updated_at":"2022-09-04T14:37:12.793133Z","structure_string":"Lu2 Nb2 O8\n1.0\n0.000000 5.078487 -0.005013\n5.350664 0.000000 0.000000\n0.000000 -0.466704 -5.248030\nLu Nb O\n2 2 8\ndirect\n0.500000 0.242022 0.250000 Lu\n0.500001 0.757977 0.750000 Lu\n0.000000 0.713052 0.250000 Nb\n0.000001 0.286947 0.750000 Nb\n0.756911 0.443640 0.978151 O\n0.747919 0.932670 0.084033 O\n0.252082 0.932670 0.415966 O\n0.243091 0.443640 0.521848 O\n0.756911 0.556360 0.478152 O\n0.747919 0.067329 0.584033 O\n0.252083 0.067329 0.915966 O\n0.243090 0.556360 0.021848 O\n","nsites":12,"nelements":3,"elements":["Lu","Nb","O"],"chemical_system":"Lu-Nb-O","density":7.728085443894786,"density_atomic":0.08414044222461016,"volume":142.61869420612732,"volume_molar":7.157248762639125,"formula_full":"Lu2 Nb2 O8","formula_reduced":"LuNbO4","formula_anonymous":"ABC4","energy_above_hull":2.4859098583333337,"spacegroup":13},{"id":"jvasp-34568","created_at":"2022-09-04T14:37:18.337078Z","updated_at":"2022-09-04T14:37:18.337108Z","structure_string":"Y3 F9\n1.0\n5.344677 -0.000000 0.000000\n0.000000 5.344677 -0.000000\n-0.000000 0.000000 5.344677\nY F\n3 9\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.242058 0.757942 0.757942 F\n0.757942 0.757942 0.242058 F\n0.757942 0.242058 0.242058 F\n0.757942 0.242058 0.757942 F\n0.500000 0.500000 0.500000 F\n0.242058 0.757942 0.242058 F\n0.242058 0.242058 0.757942 F\n0.757942 0.757942 0.757942 F\n0.242058 0.242058 0.242058 F\n","nsites":12,"nelements":2,"elements":["Y","F"],"chemical_system":"F-Y","density":4.76062974194192,"density_atomic":0.07859896974216128,"volume":152.6737569126568,"volume_molar":7.66185712071702,"formula_full":"Y3 F9","formula_reduced":"YF3","formula_anonymous":"AB3","energy_above_hull":0.0541849999999999,"spacegroup":221},{"id":"jvasp-42701","created_at":"2022-09-04T14:37:13.424705Z","updated_at":"2022-09-04T14:37:13.424726Z","structure_string":"Mn4 O7 F1\n1.0\n4.382631 -0.016427 -0.014610\n-0.011590 4.877240 -0.004253\n0.116160 -0.001842 5.420290\nMn O F\n4 7 1\ndirect\n0.989860 0.265790 0.145689 Mn\n0.988883 0.746816 0.838089 Mn\n0.495846 0.244206 0.647030 Mn\n0.511497 0.742888 0.364757 Mn\n0.767379 0.078878 0.885709 O\n0.768275 0.584315 0.116335 O\n0.731419 0.575284 0.613552 O\n0.736499 0.079490 0.385629 O\n0.266169 0.916701 0.614092 O\n0.269548 0.418806 0.385061 O\n0.231785 0.424191 0.884812 O\n0.242836 0.922633 0.119245 F\n","nsites":12,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.026708307637773,"density_atomic":0.10356729459846561,"volume":115.86669369441832,"volume_molar":5.814712823529931,"formula_full":"Mn4 O7 F1","formula_reduced":"Mn4O7F","formula_anonymous":"AB4C7","energy_above_hull":3.2681153123347704,"spacegroup":1},{"id":"jvasp-34336","created_at":"2022-09-04T14:37:18.387668Z","updated_at":"2022-09-04T14:37:18.387698Z","structure_string":"Na2 S2 O8\n1.0\n4.789547 0.010722 -0.000714\n-0.735744 5.540584 0.008610\n-1.382940 -1.403963 5.779927\nNa S O\n2 2 8\ndirect\n0.033263 0.313276 0.208903 Na\n0.966739 0.686724 0.791098 Na\n0.610983 0.777589 0.244603 S\n0.389018 0.222411 0.755398 S\n0.771435 0.894937 0.107239 O\n0.228566 0.105063 0.892762 O\n0.579581 0.037754 0.414991 O\n0.228558 0.359814 0.607502 O\n0.420421 0.962246 0.585010 O\n0.316396 0.649424 0.124503 O\n0.771444 0.640186 0.392499 O\n0.683606 0.350576 0.875498 O\n","nsites":12,"nelements":3,"elements":["Na","S","O"],"chemical_system":"Na-O-S","density":2.576141960123497,"density_atomic":0.07818688330585037,"volume":153.47842876737477,"volume_molar":7.702239180506369,"formula_full":"Na2 S2 O8","formula_reduced":"NaSO4","formula_anonymous":"ABC4","energy_above_hull":1.7540305000000005,"spacegroup":2},{"id":"jvasp-35165","created_at":"2022-09-04T14:37:31.240607Z","updated_at":"2022-09-04T14:37:31.240647Z","structure_string":"Li4 P2 N2 O4\n1.0\n0.000000 0.000000 -4.724073\n-4.515835 -2.695217 0.000000\n-4.515835 2.695217 0.000000\nLi P N O\n4 2 2 4\ndirect\n0.497804 0.007965 0.325193 Li\n0.497804 0.674808 0.992036 Li\n0.997804 0.992036 0.674808 Li\n0.997804 0.325193 0.007965 Li\n0.500243 0.344375 0.655626 P\n0.000243 0.655626 0.344375 P\n0.656098 0.615624 0.384377 N\n0.156098 0.384377 0.615624 N\n0.583525 0.332464 0.948406 O\n0.583525 0.051595 0.667537 O\n0.083525 0.667537 0.051595 O\n0.083525 0.948406 0.332464 O\n","nsites":12,"nelements":4,"elements":["Li","P","N","O"],"chemical_system":"Li-N-O-P","density":2.6240944303742504,"density_atomic":0.10435249754316743,"volume":114.99485189643849,"volume_molar":5.770959873297547,"formula_full":"Li4 P2 N2 O4","formula_reduced":"Li2PNO2","formula_anonymous":"ABC2D2","energy_above_hull":2.314500958333333,"spacegroup":36},{"id":"jvasp-12608","created_at":"2022-09-04T14:37:06.353791Z","updated_at":"2022-09-04T14:37:06.353810Z","structure_string":"Sr3 Co2 Cl2 O5\n1.0\n3.814800 -0.000000 -0.613805\n-0.098761 3.813521 -0.613805\n0.031826 0.032661 12.359198\nSr Co Cl O\n3 2 2 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.154866 0.154867 0.309734 Sr\n0.845134 0.845132 0.690267 Sr\n0.423332 0.423332 0.846664 Co\n0.576668 0.576669 0.153338 Co\n0.295204 0.295202 0.590405 Cl\n0.704799 0.704796 0.409596 Cl\n0.500000 0.500001 0.000000 O\n0.413431 0.913430 0.826860 O\n0.913431 0.413429 0.826860 O\n0.086570 0.586569 0.173141 O\n0.586570 0.086571 0.173141 O\n","nsites":12,"nelements":4,"elements":["Sr","Co","Cl","O"],"chemical_system":"Cl-Co-O-Sr","density":4.9056954038516665,"density_atomic":0.06668432290672825,"volume":179.95234077407474,"volume_molar":9.030819385274713,"formula_full":"Sr3 Co2 Cl2 O5","formula_reduced":"Sr3Co2Cl2O5","formula_anonymous":"A2B2C3D5","energy_above_hull":1.5592205304166666,"spacegroup":139},{"id":"jvasp-10569","created_at":"2022-09-04T14:37:18.521122Z","updated_at":"2022-09-04T14:37:18.521146Z","structure_string":"Rb4 Ge2 Se6\n1.0\n6.555267 0.000000 2.803626\n2.847623 6.834614 2.407236\n-0.025381 0.004896 9.124718\nRb Ge Se\n4 2 6\ndirect\n0.806417 0.565213 0.821956 Rb\n0.193583 0.434787 0.178045 Rb\n0.587792 0.194470 0.629948 Rb\n0.412208 0.805530 0.370053 Rb\n0.879503 0.052673 0.188324 Ge\n0.120498 0.947327 0.811677 Ge\n0.302941 0.621485 0.772634 Se\n0.697060 0.378515 0.227367 Se\n0.254739 -0.000000 0.000000 Se\n0.745261 -0.000000 0.000000 Se\n0.890192 0.806924 0.412693 Se\n0.109808 0.193076 0.587308 Se\n","nsites":12,"nelements":3,"elements":["Rb","Ge","Se"],"chemical_system":"Ge-Rb-Se","density":3.898815439566348,"density_atomic":0.02932118853327184,"volume":409.2603540399856,"volume_molar":20.538528829301903,"formula_full":"Rb4 Ge2 Se6","formula_reduced":"Rb2GeSe3","formula_anonymous":"AB2C3","energy_above_hull":0.4207843416666668,"spacegroup":12},{"id":"jvasp-28905","created_at":"2022-09-04T14:37:19.146703Z","updated_at":"2022-09-04T14:37:19.146727Z","structure_string":"Te2 W4 Se2 S4\n1.0\n3.309145 -0.000000 -0.000000\n-1.654573 2.865801 0.000006\n-0.000000 0.000081 37.689142\nTe W Se S\n2 4 2 4\ndirect\n0.666648 0.333296 0.418610 Te\n0.666645 0.333289 0.520812 Te\n0.333311 0.666623 0.093945 W\n0.333311 0.666622 0.469671 W\n0.666690 0.333381 0.281749 W\n0.666688 0.333378 0.657543 W\n0.333349 0.666701 0.326513 Se\n0.333351 0.666704 0.236934 Se\n0.333353 0.666708 0.698232 S\n0.666647 0.333294 0.053239 S\n0.666646 0.333291 0.134685 S\n0.333356 0.666712 0.616811 S\n","nsites":12,"nelements":4,"elements":["Te","W","Se","S"],"chemical_system":"S-Se-Te-W","density":5.931622232243638,"density_atomic":0.03357400632554258,"volume":357.41936436315575,"volume_molar":17.936914354538764,"formula_full":"Te2 W4 Se2 S4","formula_reduced":"TeW2SeS2","formula_anonymous":"ABC2D2","energy_above_hull":3.989168522222222,"spacegroup":156},{"id":"jvasp-28973","created_at":"2022-09-04T14:37:19.989695Z","updated_at":"2022-09-04T14:37:19.989721Z","structure_string":"Te4 Mo2 W2 S4\n1.0\n3.362636 -0.000001 0.000009\n-1.681320 2.912154 0.000036\n0.000083 0.000483 36.920247\nTe Mo W S\n4 2 2 4\ndirect\n0.333245 0.666516 0.327351 Te\n0.666755 0.333482 0.424107 Te\n0.666722 0.333470 0.526764 Te\n0.333277 0.666528 0.224695 Te\n0.333406 0.666813 0.475422 Mo\n0.666594 0.333185 0.276036 Mo\n0.333346 0.666665 0.093695 W\n0.666654 0.333334 0.657763 W\n0.333314 0.666647 0.698917 S\n0.666685 0.333351 0.052541 S\n0.666677 0.333307 0.134896 S\n0.333322 0.666692 0.616562 S\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","S"],"chemical_system":"Mo-S-Te-W","density":5.503347580875094,"density_atomic":0.033191167359605186,"volume":361.54196898191714,"volume_molar":18.143805232138824,"formula_full":"Te4 Mo2 W2 S4","formula_reduced":"Te2MoWS2","formula_anonymous":"ABC2D2","energy_above_hull":3.542148572222222,"spacegroup":164}]}