GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12139
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12140",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12138",
    "results": [
        {
            "id": "mp-1187826",
            "created_at": "2022-09-04T14:40:20.186463Z",
            "structure_string": "V2 Sn6\n1.0\n3.119223 -5.402653 0.000000\n3.119223 5.402653 0.000000\n0.000000 0.000000 5.366874\nV Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.172986 0.345972 0.250000 Sn\n0.654028 0.827014 0.250000 Sn\n0.172986 0.827014 0.250000 Sn\n0.827014 0.654028 0.750000 Sn\n0.345972 0.172986 0.750000 Sn\n0.827014 0.172986 0.750000 Sn\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "V",
                "Sn"
            ],
            "chemical_system": "Sn-V",
            "density": 7.473858933412427,
            "density_atomic": 0.04422675675693054,
            "volume": 180.88597461414267,
            "volume_molar": 13.616510007951922,
            "formula_full": "V2 Sn6",
            "formula_reduced": "VSn3",
            "formula_anonymous": "AB3",
            "energy": -39.50814814,
            "energy_per_atom": -4.9385185175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.50814814,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.322012,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.203000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1229231",
            "created_at": "2022-09-04T14:40:20.191227Z",
            "structure_string": "Bi1 Mo30 Pb4 S40\n1.0\n9.406169 0.000000 0.000000\n-0.126258 11.358922 0.000000\n-4.512949 -3.897915 13.379781\nBi Mo Pb S\n1 30 4 40\ndirect\n0.500000 0.000000 0.000000 Bi\n0.248074 0.812997 0.519006 Mo\n0.647995 0.412795 0.319194 Mo\n0.047731 0.013858 0.118105 Mo\n0.448112 0.612728 0.919440 Mo\n0.848274 0.212987 0.718724 Mo\n0.151465 0.764622 0.663726 Mo\n0.551002 0.363750 0.463153 Mo\n0.949367 0.964165 0.262787 Mo\n0.351704 0.563288 0.062880 Mo\n0.752526 0.163222 0.862459 Mo\n0.143583 0.582043 0.499013 Mo\n0.544840 0.183207 0.299613 Mo\n0.943207 0.782346 0.098802 Mo\n0.343882 0.381165 0.899224 Mo\n0.744540 0.982715 0.699555 Mo\n0.352005 0.587205 0.680806 Mo\n0.751926 0.187003 0.480994 Mo\n0.151726 0.787013 0.281276 Mo\n0.551888 0.387272 0.080560 Mo\n0.952269 0.986142 0.881895 Mo\n0.448998 0.636250 0.536847 Mo\n0.848535 0.235378 0.336274 Mo\n0.247474 0.836778 0.137541 Mo\n0.648296 0.436712 0.937120 Mo\n0.050633 0.035835 0.737213 Mo\n0.455160 0.816793 0.700387 Mo\n0.856417 0.417957 0.500987 Mo\n0.255460 0.017285 0.300445 Mo\n0.656118 0.618835 0.100776 Mo\n0.056793 0.217654 0.901198 Mo\n0.900241 0.599768 0.800077 Pb\n0.300419 0.200272 0.600087 Pb\n0.699581 0.799728 0.399913 Pb\n0.099759 0.400232 0.199923 Pb\n0.790585 0.951735 0.096686 S\n0.593000 0.151409 0.697580 S\n0.992524 0.750925 0.497822 S\n0.392410 0.350732 0.297567 S\n0.192886 0.550392 0.897005 S\n0.407000 0.848591 0.302420 S\n0.209415 0.048265 0.903314 S\n0.607590 0.649268 0.702433 S\n0.007476 0.249075 0.502178 S\n0.807114 0.449608 0.102995 S\n0.877903 0.749542 0.245162 S\n0.676274 0.950496 0.846773 S\n0.077778 0.549845 0.644962 S\n0.476969 0.149285 0.444940 S\n0.277136 0.349951 0.045171 S\n0.051227 0.832408 0.979334 S\n0.851809 0.032690 0.579690 S\n0.251591 0.632678 0.379183 S\n0.650494 0.230294 0.177562 S\n0.451626 0.432272 0.779194 S\n0.071302 0.168085 0.276292 S\n0.872177 0.368936 0.876821 S\n0.271406 0.968579 0.676310 S\n0.671735 0.568655 0.476765 S\n0.471985 0.771299 0.075854 S\n0.323726 0.049504 0.153227 S\n0.122097 0.250458 0.754838 S\n0.523031 0.850715 0.555060 S\n0.922222 0.450155 0.355038 S\n0.722864 0.650049 0.954829 S\n0.148191 0.967310 0.420310 S\n0.948773 0.167592 0.020666 S\n0.349506 0.769706 0.822438 S\n0.748409 0.367322 0.620817 S\n0.548374 0.567728 0.220806 S\n0.127823 0.631064 0.123179 S\n0.928698 0.831915 0.723708 S\n0.328265 0.431345 0.523235 S\n0.728594 0.031421 0.323690 S\n0.528015 0.228701 0.924146 S\n",
            "nsites": 75,
            "nelements": 4,
            "elements": [
                "Bi",
                "Mo",
                "Pb",
                "S"
            ],
            "chemical_system": "Bi-Mo-Pb-S",
            "density": 6.038581926329775,
            "density_atomic": 0.0524641164976263,
            "volume": 1429.548518240907,
            "volume_molar": 11.478589866794893,
            "formula_full": "Bi1 Mo30 Pb4 S40",
            "formula_reduced": "BiMo30(PbS10)4",
            "formula_anonymous": "AB4C30D40",
            "energy": -578.56699235,
            "energy_per_atom": -7.714226564666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -558.44699235,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1430627,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.385000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-5921",
            "created_at": "2022-09-04T14:40:20.205655Z",
            "structure_string": "Ta1 Al1 Ni2\n1.0\n0.000000 2.989484 2.989484\n2.989484 0.000000 2.989484\n2.989484 2.989484 0.000000\nTa Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ta",
                "Al",
                "Ni"
            ],
            "chemical_system": "Al-Ni-Ta",
            "density": 10.109649925044955,
            "density_atomic": 0.07485853015996369,
            "volume": 53.434124226757866,
            "volume_molar": 8.044695437021552,
            "formula_full": "Ta1 Al1 Ni2",
            "formula_reduced": "TaAlNi2",
            "formula_anonymous": "ABC2",
            "energy": -28.99541271,
            "energy_per_atom": -7.2488531775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.99541271,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001214,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.893000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-558426",
            "created_at": "2022-09-04T14:40:20.214574Z",
            "structure_string": "Cs4 Si4 Bi4 S16\n1.0\n7.127329 0.000000 0.000000\n0.000000 9.497519 0.000000\n0.000000 4.069077 12.458107\nCs Si Bi S\n4 4 4 16\ndirect\n0.260679 0.426749 0.395215 Cs\n0.760679 0.573251 0.104785 Cs\n0.739321 0.573251 0.604785 Cs\n0.239321 0.426749 0.895215 Cs\n0.764705 0.175991 0.346621 Si\n0.264705 0.824009 0.153379 Si\n0.235295 0.824009 0.653379 Si\n0.735295 0.175991 0.846621 Si\n0.152709 0.945720 0.370662 Bi\n0.652709 0.054280 0.129338 Bi\n0.847291 0.054280 0.629338 Bi\n0.347291 0.945720 0.870662 Bi\n0.991037 0.209126 0.757396 S\n0.794026 0.943545 0.441637 S\n0.510006 0.213809 0.735781 S\n0.705974 0.943545 0.941637 S\n0.768693 0.306194 0.452295 S\n0.008963 0.790874 0.242604 S\n0.268693 0.693806 0.047705 S\n0.205974 0.056455 0.558363 S\n0.731307 0.306194 0.952295 S\n0.489994 0.786191 0.264219 S\n0.010006 0.786191 0.764219 S\n0.231307 0.693806 0.547705 S\n0.508963 0.209126 0.257396 S\n0.989994 0.213809 0.235781 S\n0.491037 0.790874 0.742604 S\n0.294026 0.056455 0.058363 S\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Cs",
                "Si",
                "Bi",
                "S"
            ],
            "chemical_system": "Bi-Cs-S-Si",
            "density": 3.924199764110301,
            "density_atomic": 0.033202363294710276,
            "volume": 843.3134639081819,
            "volume_molar": 18.137687087350898,
            "formula_full": "Cs4 Si4 Bi4 S16",
            "formula_reduced": "CsSiBiS4",
            "formula_anonymous": "ABCD4",
            "energy": -137.86994104,
            "energy_per_atom": -4.923926465714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.82194104,
            "band_gap": 2.4826,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024178,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.248000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1214247",
            "created_at": "2022-09-04T14:40:20.214859Z",
            "structure_string": "Ca12 In8 Ge12 O48\n1.0\n-6.377998 6.377998 6.377998\n6.377998 -6.377998 6.377998\n6.377998 6.377998 -6.377998\nCa In Ge O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.479582 0.375872 0.287522 O\n0.520418 0.624128 0.712478 O\n0.588350 0.192060 0.212478 O\n0.911650 0.124128 0.603710 O\n0.287522 0.479582 0.375872 O\n0.307940 0.911650 0.287522 O\n0.411650 0.807940 0.787522 O\n0.088350 0.875872 0.396290 O\n0.712478 0.520418 0.624128 O\n0.692060 0.088350 0.712478 O\n0.020418 0.307940 0.896290 O\n0.212478 0.588350 0.192060 O\n0.124128 0.020418 0.212478 O\n0.979582 0.692060 0.103710 O\n0.787522 0.411650 0.807940 O\n0.875872 0.979582 0.787522 O\n0.603710 0.911650 0.124128 O\n0.192060 0.479582 0.603710 O\n0.396290 0.088350 0.875872 O\n0.807940 0.520418 0.396290 O\n0.896290 0.020418 0.307940 O\n0.375872 0.588350 0.896290 O\n0.103710 0.979582 0.692060 O\n0.624128 0.411650 0.103710 O\n0.375872 0.287522 0.479582 O\n0.588350 0.896290 0.375872 O\n0.624128 0.712478 0.520418 O\n0.411650 0.103710 0.624128 O\n0.124128 0.603710 0.911650 O\n0.020418 0.212478 0.124128 O\n0.875872 0.396290 0.088350 O\n0.979582 0.787522 0.875872 O\n0.307940 0.896290 0.020418 O\n0.911650 0.287522 0.307940 O\n0.692060 0.103710 0.979582 O\n0.088350 0.712478 0.692060 O\n0.192060 0.212478 0.588350 O\n0.479582 0.603710 0.192060 O\n0.807940 0.787522 0.411650 O\n0.520418 0.396290 0.807940 O\n0.287522 0.307940 0.911650 O\n0.712478 0.692060 0.088350 O\n0.212478 0.124128 0.020418 O\n0.787522 0.875872 0.979582 O\n0.896290 0.375872 0.588350 O\n0.103710 0.624128 0.411650 O\n0.603710 0.192060 0.479582 O\n0.396290 0.807940 0.520418 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ca",
                "In",
                "Ge",
                "O"
            ],
            "chemical_system": "Ca-Ge-In-O",
            "density": 4.862788926443302,
            "density_atomic": 0.07708623941297675,
            "volume": 1037.79871231509,
            "volume_molar": 7.812212407635272,
            "formula_full": "Ca12 In8 Ge12 O48",
            "formula_reduced": "Ca3In2(GeO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -545.1182907,
            "energy_per_atom": -6.81397863375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -512.1422907,
            "band_gap": 2.6718,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0402627,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:00.364000Z",
            "spacegroup": 230
        },
        {
            "id": "mp-1188239",
            "created_at": "2022-09-04T14:40:20.218854Z",
            "structure_string": "Pr4 Ni6 Ge10\n1.0\n0.000000 0.000000 5.934537\n4.894474 5.878204 2.967268\n-4.894474 5.878204 2.967268\nPr Ni Ge\n4 6 10\ndirect\n0.866838 0.873882 0.392441 Pr\n0.133162 0.126118 0.607559 Pr\n0.366838 0.392441 0.873882 Pr\n0.633162 0.607559 0.126118 Pr\n0.250000 0.000000 0.000000 Ni\n0.750000 0.000000 0.000000 Ni\n0.630622 0.257387 0.481370 Ni\n0.369378 0.742613 0.518630 Ni\n0.130622 0.481370 0.257387 Ni\n0.869378 0.518630 0.742613 Ni\n0.250000 0.500000 0.500000 Ge\n0.750000 0.500000 0.500000 Ge\n0.007982 0.242018 0.242018 Ge\n0.492018 0.757982 0.757982 Ge\n0.992018 0.757982 0.757982 Ge\n0.507982 0.242018 0.242018 Ge\n0.602298 0.048866 0.746537 Ge\n0.397702 0.951134 0.253463 Ge\n0.102298 0.746537 0.048866 Ge\n0.897702 0.253463 0.951134 Ge\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Pr",
                "Ni",
                "Ge"
            ],
            "chemical_system": "Ge-Ni-Pr",
            "density": 7.985557621812947,
            "density_atomic": 0.0585682811101356,
            "volume": 341.4817648889285,
            "volume_molar": 10.282256275671767,
            "formula_full": "Pr4 Ni6 Ge10",
            "formula_reduced": "Pr2Ni3Ge5",
            "formula_anonymous": "A2B3C5",
            "energy": -112.94703172,
            "energy_per_atom": -5.647351586,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.94703172,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0036578,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.604000Z",
            "spacegroup": 72
        },
        {
            "id": "mp-1517173",
            "created_at": "2022-09-04T14:40:20.219423Z",
            "structure_string": "Ba1 Sr1 Pr1 Ti1 O6\n1.0\n0.000000 -4.300083 -4.300083\n4.300083 -0.000000 -4.300083\n4.300083 -4.300083 -0.000000\nBa Sr Pr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 Ti\n0.729109 0.270891 0.270891 O\n0.270891 0.729109 0.729109 O\n0.729109 0.270891 0.729109 O\n0.270891 0.729109 0.270891 O\n0.729109 0.729109 0.270891 O\n0.270891 0.270891 0.729109 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ba",
                "Sr",
                "Pr",
                "Ti",
                "O"
            ],
            "chemical_system": "Ba-O-Pr-Sr-Ti",
            "density": 5.322535902581641,
            "density_atomic": 0.06288390300594053,
            "volume": 159.02320819773732,
            "volume_molar": 9.5766014387356,
            "formula_full": "Ba1 Sr1 Pr1 Ti1 O6",
            "formula_reduced": "BaSrPrTiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -77.81138891,
            "energy_per_atom": -7.781138891,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -73.68938891,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.139000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1101077",
            "created_at": "2022-09-04T14:40:20.222504Z",
            "structure_string": "Ho2 Cu1 Ge6\n1.0\n4.085235 0.000000 0.000000\n0.000000 4.059616 0.000000\n0.000000 -2.029807 10.719363\nHo Cu Ge\n2 1 6\ndirect\n0.000000 0.004432 0.008863 Ho\n0.000000 0.669266 0.338533 Ho\n0.500000 0.224114 0.448228 Cu\n0.000000 0.285097 0.570194 Ge\n0.000000 0.401631 0.803261 Ge\n0.500000 0.543447 0.086895 Ge\n0.500000 0.115765 0.231531 Ge\n0.500000 0.902297 0.804594 Ge\n0.500000 0.784951 0.569901 Ge\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Ho",
                "Cu",
                "Ge"
            ],
            "chemical_system": "Cu-Ge-Ho",
            "density": 7.745720832590856,
            "density_atomic": 0.050625757183510194,
            "volume": 177.77511884664665,
            "volume_molar": 11.895408770224833,
            "formula_full": "Ho2 Cu1 Ge6",
            "formula_reduced": "Ho2CuGe6",
            "formula_anonymous": "AB2C6",
            "energy": -44.63842435,
            "energy_per_atom": -4.9598249277777775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.63842435,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003414,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:04.393000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-33363",
            "created_at": "2022-09-04T14:40:20.223871Z",
            "structure_string": "Li2 Y2 S4\n1.0\n-2.724731 2.724731 5.568232\n2.724731 -2.724731 5.568232\n2.724731 2.724731 -5.568232\nLi Y S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.754434 0.754434 0.000000 S\n0.504434 0.004434 0.500000 S\n0.245566 0.245566 0.000000 S\n0.995566 0.495566 0.500000 S\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "Y",
                "S"
            ],
            "chemical_system": "Li-S-Y",
            "density": 3.213006879093898,
            "density_atomic": 0.048379949212497726,
            "volume": 165.35775936559693,
            "volume_molar": 12.447596283222914,
            "formula_full": "Li2 Y2 S4",
            "formula_reduced": "LiYS2",
            "formula_anonymous": "ABC2",
            "energy": -50.02450067,
            "energy_per_atom": -6.25306258375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.01250067,
            "band_gap": 1.9597,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.62e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:01.763000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-559433",
            "created_at": "2022-09-04T14:40:20.189372Z",
            "structure_string": "K12 V4 H8 C8 O40\n1.0\n7.948242 0.000000 0.000000\n0.000000 7.270155 0.000000\n0.000000 2.709960 17.574181\nK V H C O\n12 4 8 8 40\ndirect\n0.475768 0.664038 0.344377 K\n0.524232 0.335962 0.655623 K\n0.449525 0.207974 0.077165 K\n0.679945 0.856379 0.702539 K\n0.320055 0.143621 0.297461 K\n0.975768 0.335962 0.155623 K\n0.050475 0.207974 0.577165 K\n0.024232 0.664038 0.844377 K\n0.179945 0.143621 0.797461 K\n0.820055 0.856379 0.202539 K\n0.949525 0.792026 0.422835 K\n0.550475 0.792026 0.922835 K\n0.218419 0.751521 0.664342 V\n0.718419 0.248479 0.835658 V\n0.781581 0.248479 0.335658 V\n0.281581 0.751521 0.164342 V\n0.746666 0.607643 0.052047 H\n0.753334 0.607643 0.552047 H\n0.908331 0.591068 0.609954 H\n0.253334 0.392357 0.947953 H\n0.591669 0.591068 0.109954 H\n0.091669 0.408932 0.390046 H\n0.408331 0.408932 0.890046 H\n0.246666 0.392357 0.447953 H\n0.972263 0.248186 0.964331 C\n0.027737 0.751814 0.035669 C\n0.306498 0.840259 0.500506 C\n0.527737 0.248186 0.464331 C\n0.193502 0.840259 0.000506 C\n0.693502 0.159741 0.499494 C\n0.472263 0.751814 0.535669 C\n0.806498 0.159741 0.999494 C\n0.030551 0.708054 0.107940 O\n0.839308 0.521419 0.578376 O\n0.337264 0.845106 0.743353 O\n0.686692 0.148069 0.951107 O\n0.686143 0.500569 0.856999 O\n0.293215 0.891653 0.430657 O\n0.339308 0.478581 0.921624 O\n0.172808 0.988572 0.175724 O\n0.793215 0.108347 0.069343 O\n0.186692 0.851931 0.548893 O\n0.755616 0.490437 0.279584 O\n0.255616 0.509563 0.220416 O\n0.327192 0.988572 0.675724 O\n0.480775 0.806094 0.182010 O\n0.519225 0.193906 0.817990 O\n0.813857 0.500569 0.356999 O\n0.244384 0.509563 0.720416 O\n0.206785 0.891653 0.930657 O\n0.313857 0.499431 0.143001 O\n0.660692 0.521419 0.078376 O\n0.186143 0.499431 0.643001 O\n0.093694 0.272644 0.007171 O\n0.744384 0.490437 0.779584 O\n0.980775 0.193906 0.317990 O\n0.530551 0.291946 0.392060 O\n0.162736 0.845106 0.243353 O\n0.662736 0.154894 0.256647 O\n0.593694 0.727356 0.492829 O\n0.313308 0.851931 0.048893 O\n0.406306 0.272644 0.507171 O\n0.827192 0.011428 0.824276 O\n0.906306 0.727356 0.992829 O\n0.837264 0.154894 0.756647 O\n0.813308 0.148069 0.451107 O\n0.672808 0.011428 0.324276 O\n0.469449 0.708054 0.607940 O\n0.969449 0.291946 0.892060 O\n0.019225 0.806094 0.682010 O\n0.160692 0.478581 0.421624 O\n0.706785 0.108347 0.569343 O\n",
            "nsites": 72,
            "nelements": 5,
            "elements": [
                "K",
                "V",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-K-O-V",
            "density": 2.3171320021901827,
            "density_atomic": 0.07089941466498399,
            "volume": 1015.5231935301091,
            "volume_molar": 8.493921689559775,
            "formula_full": "K12 V4 H8 C8 O40",
            "formula_reduced": "K3VH2(CO5)2",
            "formula_anonymous": "AB2C2D3E10",
            "energy": -474.86217468,
            "energy_per_atom": -6.595307981666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -440.58217468,
            "band_gap": 2.3613,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012082,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:04.109000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-677027",
            "created_at": "2022-09-04T14:40:20.201964Z",
            "structure_string": "Na2 Ca18 Ta2 Ti18 O60\n1.0\n38.477274 0.000000 0.000000\n0.000000 5.424123 0.000000\n0.000000 0.002177 5.527552\nNa Ca Ta Ti O\n2 18 2 18 60\ndirect\n0.000000 0.488593 0.476970 Na\n0.000000 0.009297 0.969236 Na\n0.300517 0.985960 0.042969 Ca\n0.500000 0.987719 0.042596 Ca\n0.699483 0.985960 0.042969 Ca\n0.898853 0.990069 0.046732 Ca\n0.101147 0.990069 0.046732 Ca\n0.500000 0.511717 0.542245 Ca\n0.300657 0.509518 0.541112 Ca\n0.699343 0.509518 0.541112 Ca\n0.898395 0.514793 0.543757 Ca\n0.101605 0.514793 0.543757 Ca\n0.200986 0.489889 0.456135 Ca\n0.400235 0.488201 0.457724 Ca\n0.799014 0.489889 0.456135 Ca\n0.599765 0.488201 0.457724 Ca\n0.400177 0.012116 0.957392 Ca\n0.200797 0.014114 0.954769 Ca\n0.799203 0.014114 0.954769 Ca\n0.599823 0.012116 0.957392 Ca\n0.050394 0.494889 0.006435 Ta\n0.949606 0.494889 0.006435 Ta\n0.250086 0.988187 0.498806 Ti\n0.349881 0.999204 0.500253 Ti\n0.450015 0.999256 0.499789 Ti\n0.549985 0.999256 0.499789 Ti\n0.749914 0.988187 0.498806 Ti\n0.951615 0.001550 0.510603 Ti\n0.048385 0.001550 0.510603 Ti\n0.250958 0.489827 0.995207 Ti\n0.450184 0.499389 0.999594 Ti\n0.649254 0.499117 0.999561 Ti\n0.848290 0.513996 0.002678 Ti\n0.151710 0.513996 0.002678 Ti\n0.350746 0.499117 0.999561 Ti\n0.549816 0.499389 0.999594 Ti\n0.749042 0.489827 0.995207 Ti\n0.149999 0.015785 0.499025 Ti\n0.650119 0.999204 0.500253 Ti\n0.850001 0.015785 0.499025 Ti\n0.201082 0.919895 0.520021 O\n0.400272 0.920453 0.519556 O\n0.599728 0.920453 0.519556 O\n0.798918 0.919895 0.520021 O\n0.000000 0.923720 0.515373 O\n0.259193 0.789330 0.787184 O\n0.458622 0.786566 0.786094 O\n0.541378 0.786566 0.786094 O\n0.740807 0.789330 0.787184 O\n0.658181 0.787072 0.786089 O\n0.857790 0.786235 0.787992 O\n0.341819 0.787072 0.786089 O\n0.939917 0.782194 0.777593 O\n0.060083 0.782194 0.777593 O\n0.142210 0.786235 0.787992 O\n0.259058 0.715097 0.287506 O\n0.341789 0.714182 0.285779 O\n0.458593 0.713569 0.285890 O\n0.541407 0.713569 0.285890 O\n0.740942 0.715097 0.287506 O\n0.857945 0.708177 0.285362 O\n0.060441 0.714385 0.280671 O\n0.939559 0.714385 0.280671 O\n0.658211 0.714182 0.285779 O\n0.142055 0.708177 0.285362 O\n0.200462 0.582718 0.019963 O\n0.400161 0.580893 0.019540 O\n0.799538 0.582718 0.019963 O\n0.000000 0.577100 0.015198 O\n0.599839 0.580893 0.019540 O\n0.500000 0.419859 0.980998 O\n0.699722 0.420180 0.981009 O\n0.300278 0.420180 0.981009 O\n0.100905 0.415851 0.976916 O\n0.899095 0.415851 0.976916 O\n0.159452 0.287351 0.710771 O\n0.241880 0.290890 0.715559 O\n0.441577 0.287110 0.714779 O\n0.358787 0.288036 0.714799 O\n0.758120 0.290890 0.715559 O\n0.558423 0.287110 0.714779 O\n0.641213 0.288036 0.714799 O\n0.840548 0.287351 0.710771 O\n0.956819 0.283572 0.708259 O\n0.043181 0.283572 0.708259 O\n0.159370 0.208930 0.211172 O\n0.358843 0.214773 0.213953 O\n0.242042 0.216619 0.213644 O\n0.558444 0.213895 0.214131 O\n0.757958 0.216619 0.213644 O\n0.840630 0.208930 0.211172 O\n0.441556 0.213895 0.214131 O\n0.641157 0.214773 0.213953 O\n0.956252 0.204428 0.210361 O\n0.043748 0.204428 0.210361 O\n0.300641 0.081234 0.480720 O\n0.500000 0.080327 0.480711 O\n0.699359 0.081234 0.480720 O\n0.898731 0.081338 0.480483 O\n0.101269 0.081338 0.480483 O\n",
            "nsites": 100,
            "nelements": 5,
            "elements": [
                "Na",
                "Ca",
                "Ta",
                "Ti",
                "O"
            ],
            "chemical_system": "Ca-Na-O-Ta-Ti",
            "density": 4.247461644579536,
            "density_atomic": 0.0866828811545235,
            "volume": 1153.630320867358,
            "volume_molar": 6.947324177267196,
            "formula_full": "Na2 Ca18 Ta2 Ti18 O60",
            "formula_reduced": "NaCa9TaTi9O30",
            "formula_anonymous": "ABC9D9E30",
            "energy": -852.0102999500001,
            "energy_per_atom": -8.5201029995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -810.7902999500001,
            "band_gap": 2.4407,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001338,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.003000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-778256",
            "created_at": "2022-09-04T14:40:20.233363Z",
            "structure_string": "Rb16 Mg8 O16\n1.0\n6.489348 0.000000 0.000000\n0.000000 9.780141 0.000000\n0.000000 7.688057 14.269965\nRb Mg O\n16 8 16\ndirect\n0.332055 0.852689 0.970572 Rb\n0.871223 0.920511 0.835017 Rb\n0.084118 0.680635 0.740031 Rb\n0.565155 0.568464 0.879036 Rb\n0.167945 0.852689 0.470572 Rb\n0.628777 0.920511 0.335017 Rb\n0.065155 0.431536 0.620964 Rb\n0.584118 0.319365 0.759969 Rb\n0.415882 0.680635 0.240031 Rb\n0.934845 0.568464 0.379036 Rb\n0.371223 0.079489 0.664983 Rb\n0.832055 0.147311 0.529428 Rb\n0.434845 0.431536 0.120964 Rb\n0.915882 0.319365 0.259969 Rb\n0.128777 0.079489 0.164983 Rb\n0.667945 0.147311 0.029428 Rb\n0.628506 0.756714 0.627397 Mg\n0.049837 0.411876 0.959677 Mg\n0.549837 0.588124 0.540323 Mg\n0.128506 0.243286 0.872603 Mg\n0.871494 0.756714 0.127397 Mg\n0.450163 0.411876 0.459677 Mg\n0.950163 0.588124 0.040323 Mg\n0.371494 0.243286 0.372603 Mg\n0.695608 0.862206 0.696714 O\n0.128495 0.628887 0.929675 O\n0.774735 0.739918 0.527325 O\n0.402087 0.616938 0.642222 O\n0.902087 0.383062 0.857778 O\n0.274735 0.260082 0.972675 O\n0.804392 0.862206 0.196714 O\n0.371505 0.628887 0.429675 O\n0.628495 0.371113 0.570325 O\n0.195608 0.137794 0.803286 O\n0.725265 0.739918 0.027325 O\n0.097913 0.616938 0.142222 O\n0.597913 0.383062 0.357778 O\n0.225265 0.260082 0.472675 O\n0.871505 0.371113 0.070325 O\n0.304392 0.137794 0.303286 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Rb",
                "Mg",
                "O"
            ],
            "chemical_system": "Mg-O-Rb",
            "density": 3.333140571903006,
            "density_atomic": 0.044166288292882924,
            "volume": 905.6681361753849,
            "volume_molar": 13.63515249473754,
            "formula_full": "Rb16 Mg8 O16",
            "formula_reduced": "Rb2MgO2",
            "formula_anonymous": "AB2C2",
            "energy": -183.06775079,
            "energy_per_atom": -4.576693769749999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.07575079000003,
            "band_gap": 1.6497,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0086456,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.659000Z",
            "spacegroup": 14
        }
    ]
}