HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3567",
"results": [
{
"id": "jvasp-119410",
"created_at": "2022-09-04T14:38:50.835470Z",
"updated_at": "2022-09-04T14:38:50.835505Z",
"structure_string": "La4 H10\n1.0\n5.097551 -0.009250 -4.645973\n-1.000239 4.998463 -4.645973\n0.007596 0.009250 6.897103\nLa H\n4 10\ndirect\n0.504575 0.004574 0.500000 La\n0.245426 0.245426 -0.000000 La\n0.995426 0.495425 0.500000 La\n0.754574 0.754574 -0.000000 La\n0.605224 0.625000 0.480224 H\n0.144776 0.125000 0.519776 H\n0.605225 0.125000 0.980225 H\n0.144775 0.625000 0.019775 H\n0.375000 0.394775 0.519776 H\n0.875000 0.855224 0.480224 H\n0.875000 0.394775 0.019776 H\n0.375000 0.855224 0.980224 H\n0.750000 0.250000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"La",
"H"
],
"chemical_system": "H-La",
"density": 5.333911802111097,
"density_atomic": 0.07949459608571921,
"volume": 176.11259996722,
"volume_molar": 7.5755347615155015,
"formula_full": "La4 H10",
"formula_reduced": "La2H5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.611008571428572,
"spacegroup": 141
},
{
"id": "jvasp-119342",
"created_at": "2022-09-04T14:38:50.859401Z",
"updated_at": "2022-09-04T14:38:50.859430Z",
"structure_string": "Li2 Mn1 Cu3 O8\n1.0\n5.052505 0.018464 2.922239\n1.694369 4.759964 2.922239\n0.026070 0.018464 5.836661\nLi Mn Cu O\n2 1 3 8\ndirect\n0.130664 0.130663 0.130664 Li\n0.869338 0.869334 0.869337 Li\n0.500001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.499999 0.500000 Cu\n0.500001 0.499999 0.000000 Cu\n0.267869 0.267867 0.267868 O\n0.274854 0.274852 0.717063 O\n0.717064 0.274852 0.274853 O\n0.274854 0.717061 0.274854 O\n0.725148 0.282936 0.725147 O\n0.282938 0.725145 0.725147 O\n0.725148 0.725145 0.282938 O\n0.732133 0.732130 0.732132 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.6072571598292384,
"density_atomic": 0.10025408769266306,
"volume": 139.64517878730413,
"volume_molar": 6.006878022232225,
"formula_full": "Li2 Mn1 Cu3 O8",
"formula_reduced": "Li2MnCu3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.0038026136699507,
"spacegroup": 166
},
{
"id": "jvasp-119283",
"created_at": "2022-09-04T14:38:50.277524Z",
"updated_at": "2022-09-04T14:38:50.277547Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n5.110009 0.044981 -3.582303\n-1.358087 4.926441 -3.582303\n-0.033947 -0.044981 6.240508\nCa Cu O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.875000 0.625000 0.250000 Cu\n0.374999 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.021664 0.943329 0.365515 O\n0.056670 0.422186 0.078335 O\n0.343850 0.978335 0.921665 O\n0.172185 0.593851 0.865516 O\n0.406149 0.271665 0.578335 O\n0.693329 0.827814 0.421665 O\n0.577813 0.656149 0.634485 O\n0.728335 0.306671 0.134485 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.926216542605069,
"density_atomic": 0.08983291175252164,
"volume": 155.84488721203022,
"volume_molar": 6.703713196551215,
"formula_full": "Ca2 Cu4 O8",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1455850457142855,
"spacegroup": 88
},
{
"id": "jvasp-121961",
"created_at": "2022-09-04T14:38:50.271273Z",
"updated_at": "2022-09-04T14:38:50.271298Z",
"structure_string": "Ba1 Ca2 Mg1 Si2 O8\n1.0\n5.448987 0.000000 0.000000\n-2.724495 4.718961 0.000000\n-0.000000 -0.000000 6.838021\nBa Ca Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.841093 Ca\n0.666667 0.333333 0.158907 Ca\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.272792 Si\n0.666667 0.333333 0.727208 Si\n0.333334 0.666667 0.509306 O\n0.666667 0.333333 0.490693 O\n0.646131 0.886572 0.174615 O\n0.113428 0.759557 0.174615 O\n0.240443 0.353870 0.174615 O\n0.353871 0.113427 0.825384 O\n0.886573 0.240443 0.825384 O\n0.759558 0.646130 0.825384 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Ca-Mg-O-Si",
"density": 4.022716364281944,
"density_atomic": 0.07962243327636234,
"volume": 175.82984372516287,
"volume_molar": 7.563371919440954,
"formula_full": "Ba1 Ca2 Mg1 Si2 O8",
"formula_reduced": "BaCa2Mg(SiO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.850187218571429,
"spacegroup": 147
},
{
"id": "jvasp-117240",
"created_at": "2022-09-04T14:38:49.871465Z",
"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mg-Mo-S",
"density": 3.84848178233746,
"density_atomic": 0.050980018444256085,
"volume": 274.61739770275386,
"volume_molar": 11.812747315077745,
"formula_full": "Mg2 Ga2 Mo2 S8",
"formula_reduced": "MgGaMoS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8722338964285716,
"spacegroup": 44
},
{
"id": "jvasp-119258",
"created_at": "2022-09-04T14:38:50.248125Z",
"updated_at": "2022-09-04T14:38:50.248152Z",
"structure_string": "Co6 O8\n1.0\n4.947593 -0.188397 2.768128\n1.763539 4.501845 2.959579\n0.080384 -0.188734 5.670694\nCo O\n6 8\ndirect\n0.625002 0.625002 0.124995 Co\n0.124994 0.625003 0.625001 Co\n0.250095 0.249968 0.250024 Co\n-0.000095 0.000032 -0.000023 Co\n0.625001 0.124995 0.625002 Co\n0.625001 0.625003 0.625002 Co\n0.384939 0.845960 0.384905 O\n0.403999 0.865052 0.865824 O\n0.384162 0.384849 0.846012 O\n0.845998 0.384950 0.384176 O\n0.384868 0.384173 0.384969 O\n0.865837 0.865154 0.403987 O\n0.865060 0.404041 0.865095 O\n0.865131 0.865829 0.865032 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 6.200002840369752,
"density_atomic": 0.10853990207986278,
"volume": 128.98482246371398,
"volume_molar": 5.548319691286397,
"formula_full": "Co6 O8",
"formula_reduced": "Co3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.019203814285714,
"spacegroup": 227
},
{
"id": "jvasp-119102",
"created_at": "2022-09-04T14:38:50.991242Z",
"updated_at": "2022-09-04T14:38:50.991270Z",
"structure_string": "Ga5 Cu1 Se8\n1.0\n5.507931 -0.000000 0.000000\n0.000000 5.507931 0.000000\n-0.000000 -0.000000 11.217505\nGa Cu Se\n5 1 8\ndirect\n-0.000000 0.500000 0.255433 Ga\n0.500000 0.000000 0.744567 Ga\n-0.000000 0.500000 0.744567 Ga\n0.500000 0.000000 0.255433 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.269756 0.269756 0.114750 Se\n0.730244 0.730244 0.114750 Se\n0.269756 0.730244 0.885250 Se\n0.730244 0.269756 0.885250 Se\n0.235657 0.235657 0.615975 Se\n0.764343 0.764343 0.615975 Se\n0.235657 0.764343 0.384025 Se\n0.764343 0.235657 0.384025 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 5.093428272837436,
"density_atomic": 0.04113909956480641,
"volume": 340.308858193306,
"volume_molar": 14.63848461367834,
"formula_full": "Ga5 Cu1 Se8",
"formula_reduced": "Ga5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.7101063577380953,
"spacegroup": 111
},
{
"id": "jvasp-116478",
"created_at": "2022-09-04T14:38:50.996187Z",
"updated_at": "2022-09-04T14:38:50.996213Z",
"structure_string": "Pr4 Te10\n1.0\n22.666607 -0.004425 0.000000\n-22.227117 4.441886 0.000000\n-0.000000 -0.000000 4.468962\nPr Te\n4 10\ndirect\n0.098468 0.901534 0.250000 Pr\n0.901534 0.098468 0.750000 Pr\n0.307248 0.692754 0.250000 Pr\n0.692754 0.307248 0.750000 Pr\n0.958113 0.041889 0.250000 Te\n0.041889 0.958112 0.750000 Te\n0.541922 0.458079 0.250000 Te\n0.458079 0.541922 0.750000 Te\n0.749969 0.250033 0.250000 Te\n0.250033 0.749969 0.750000 Te\n0.173040 0.826962 0.250000 Te\n0.826962 0.173040 0.750000 Te\n0.379851 0.620151 0.250000 Te\n0.620151 0.379851 0.750000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Te"
],
"chemical_system": "Pr-Te",
"density": 6.795847109246943,
"density_atomic": 0.031145256577735803,
"volume": 449.50665168088244,
"volume_molar": 19.335659492704036,
"formula_full": "Pr4 Te10",
"formula_reduced": "Pr2Te5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.1272297904761903,
"spacegroup": 63
},
{
"id": "jvasp-119642",
"created_at": "2022-09-04T14:38:52.090522Z",
"updated_at": "2022-09-04T14:38:52.090550Z",
"structure_string": "Zr2 V2 Cu2 S8\n1.0\n6.265306 -0.011807 -3.511659\n-2.140657 5.858715 -3.560758\n0.028583 0.011807 7.182270\nZr V Cu S\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.000000 0.500000 V\n-0.000000 0.500000 0.000000 V\n0.382785 0.632786 0.750000 Cu\n0.617215 0.367215 0.250000 Cu\n0.244017 0.745146 0.001128 S\n0.244017 0.242890 0.498872 S\n0.224555 0.745855 0.478701 S\n0.767153 0.745855 0.021299 S\n0.755983 0.254855 -0.001128 S\n0.755983 0.757111 0.501128 S\n0.775445 0.254146 0.521299 S\n0.232846 0.254146 0.978701 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-S-V-Zr",
"density": 4.195001549124214,
"density_atomic": 0.05295069452986878,
"volume": 264.396909696865,
"volume_molar": 11.373110047882356,
"formula_full": "Zr2 V2 Cu2 S8",
"formula_reduced": "ZrVCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.412172735714286,
"spacegroup": 74
},
{
"id": "jvasp-117085",
"created_at": "2022-09-04T14:38:50.200986Z",
"updated_at": "2022-09-04T14:38:50.201003Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n4.668330 0.000000 2.028107\n-0.000000 6.159700 0.000000\n-0.003284 -0.000000 5.089843\nLi V Ni O\n2 2 2 8\ndirect\n0.335428 0.750000 0.335427 Li\n0.664573 0.250000 0.664572 Li\n0.352307 0.250000 0.352306 V\n0.647694 0.750000 0.647693 V\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234783 0.025708 0.234783 O\n0.234783 0.474292 0.234783 O\n0.765218 0.974292 0.765217 O\n0.765218 0.525708 0.765217 O\n0.731904 0.250000 0.233935 O\n0.766066 0.750000 0.268097 O\n0.233935 0.250000 0.731903 O\n0.268098 0.750000 0.766065 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.096244735905304,
"density_atomic": 0.09562706419761978,
"volume": 146.4020684674378,
"volume_molar": 6.2975275990433435,
"formula_full": "Li2 V2 Ni2 O8",
"formula_reduced": "LiVNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2717429428571427,
"spacegroup": 63
},
{
"id": "jvasp-119395",
"created_at": "2022-09-04T14:38:51.109790Z",
"updated_at": "2022-09-04T14:38:51.109822Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n4.944561 0.055108 2.774325\n1.625868 4.669932 2.774325\n0.023302 0.016757 5.666905\nLi Co O F\n2 4 7 1\ndirect\n0.500179 0.500178 -0.003495 Li\n0.883911 0.883912 0.867341 Li\n0.114621 0.114621 0.134326 Co\n0.492981 0.003000 0.492117 Co\n0.003000 0.492981 0.492117 Co\n0.501669 0.501669 0.506056 Co\n0.737143 0.737143 0.287016 O\n0.752575 0.290544 0.713629 O\n0.290543 0.752575 0.713629 O\n0.717238 0.248018 0.282913 O\n0.250732 0.250732 0.271852 O\n0.248018 0.717238 0.282913 O\n0.259974 0.259975 0.720900 O\n0.746829 0.746829 0.739256 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.865674554858337,
"density_atomic": 0.10778118675935297,
"volume": 129.89279874286703,
"volume_molar": 5.587376555284974,
"formula_full": "Li2 Co4 O7 F1",
"formula_reduced": "Li2Co4O7F",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.650267027321428,
"spacegroup": 8
},
{
"id": "jvasp-117283",
"created_at": "2022-09-04T14:38:50.111587Z",
"updated_at": "2022-09-04T14:38:50.111624Z",
"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.923511 -0.017912 1.696167\n4.627728 3.697627 1.696167\n-0.000402 -0.000140 6.262673\nLi V Fe O\n2 3 1 8\ndirect\n0.941727 0.941729 0.321508 Li\n0.058082 0.058082 0.653796 Li\n0.718130 0.718132 0.704631 V\n0.609811 0.609813 0.294559 V\n0.385019 0.385020 0.724308 V\n0.285956 0.285956 0.303887 Fe\n0.889057 0.889059 0.676025 O\n0.767889 0.767891 0.353674 O\n0.655737 0.655739 0.994104 O\n0.559699 0.559700 0.646817 O\n0.442471 0.442472 0.354318 O\n0.344350 0.344351 0.006148 O\n0.226720 0.226720 0.653359 O\n0.115350 0.115351 0.312868 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.227498821284446,
"density_atomic": 0.10167555467682267,
"volume": 137.69288050111177,
"volume_molar": 5.92289934305396,
"formula_full": "Li2 V3 Fe1 O8",
"formula_reduced": "Li2V3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.119998292857143,
"spacegroup": 8
}
]
}