GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10115
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=is_theoretical&page=10116",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10114",
    "results": [
        {
            "id": "mp-25837",
            "created_at": "2022-09-04T14:48:05.993428Z",
            "structure_string": "Li12 Cr8 P12 O48\n1.0\n8.702882 0.000000 0.000000\n0.000000 8.428616 0.000000\n0.000000 0.471549 12.203384\nLi Cr P O\n12 8 12 48\ndirect\n0.809071 0.713460 0.948307 Li\n0.190929 0.286540 0.051693 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.895201 0.000000 0.250000 Li\n0.599019 0.500000 0.250000 Li\n0.104799 0.000000 0.750000 Li\n0.190929 0.713460 0.448307 Li\n0.500000 0.500000 0.500000 Li\n0.400981 0.500000 0.750000 Li\n0.809071 0.286540 0.551693 Li\n0.000000 0.000000 0.500000 Li\n0.999232 0.718549 0.141938 Cr\n0.999232 0.281451 0.358062 Cr\n0.497443 0.217632 0.143774 Cr\n0.497443 0.782368 0.356226 Cr\n0.502557 0.217632 0.643774 Cr\n0.502557 0.782368 0.856226 Cr\n0.000768 0.718549 0.641938 Cr\n0.000768 0.281451 0.858062 Cr\n0.360228 0.154066 0.893035 P\n0.797585 0.000000 0.750000 P\n0.853110 0.649977 0.397301 P\n0.146890 0.350023 0.602699 P\n0.639772 0.845934 0.106965 P\n0.639772 0.154066 0.393035 P\n0.853110 0.350023 0.102699 P\n0.287452 0.500000 0.250000 P\n0.712548 0.500000 0.750000 P\n0.146890 0.649977 0.897301 P\n0.360228 0.845934 0.606965 P\n0.202415 0.000000 0.250000 P\n0.411814 0.252582 0.992071 O\n0.190469 0.378083 0.313866 O\n0.675929 0.345703 0.087084 O\n0.190469 0.621917 0.186134 O\n0.397038 0.429451 0.161812 O\n0.091123 0.067903 0.337819 O\n0.581548 0.014833 0.108932 O\n0.295537 0.128514 0.187518 O\n0.704463 0.871486 0.812482 O\n0.418452 0.985167 0.891068 O\n0.908877 0.932097 0.662181 O\n0.602962 0.570549 0.838188 O\n0.809531 0.378083 0.813866 O\n0.324071 0.654297 0.912916 O\n0.809531 0.621917 0.686134 O\n0.057198 0.747411 0.983306 O\n0.908877 0.067903 0.837819 O\n0.942802 0.252589 0.016694 O\n0.942802 0.747411 0.483306 O\n0.408359 0.746997 0.710497 O\n0.108434 0.471496 0.906916 O\n0.095680 0.731211 0.787885 O\n0.602962 0.429451 0.661812 O\n0.581548 0.985167 0.391068 O\n0.408359 0.253003 0.789503 O\n0.180285 0.858469 0.593847 O\n0.704463 0.128514 0.687518 O\n0.904320 0.731211 0.287885 O\n0.891566 0.471496 0.406916 O\n0.411814 0.747418 0.507929 O\n0.675929 0.654297 0.412916 O\n0.180285 0.141531 0.906153 O\n0.819715 0.858469 0.093847 O\n0.324071 0.345703 0.587084 O\n0.588186 0.252582 0.492071 O\n0.108434 0.528504 0.593084 O\n0.095680 0.268789 0.712115 O\n0.295537 0.871486 0.312482 O\n0.819715 0.141531 0.406153 O\n0.591641 0.746997 0.210497 O\n0.091123 0.932097 0.162181 O\n0.397038 0.570549 0.338188 O\n0.904320 0.268789 0.212115 O\n0.891566 0.528504 0.093084 O\n0.591641 0.253003 0.289503 O\n0.057198 0.252589 0.516694 O\n0.588186 0.747418 0.007929 O\n0.418452 0.014833 0.608932 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "P",
                "O"
            ],
            "chemical_system": "Cr-Li-O-P",
            "density": 3.0402301043889426,
            "density_atomic": 0.08936970952936374,
            "volume": 895.1578831496014,
            "volume_molar": 6.738458468438164,
            "formula_full": "Li12 Cr8 P12 O48",
            "formula_reduced": "Li3Cr2(PO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -613.1304187999999,
            "energy_per_atom": -7.664130234999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -564.1624188,
            "band_gap": 2.9463000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9983113,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:23.545000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-774635",
            "created_at": "2022-09-04T14:48:05.572114Z",
            "structure_string": "V3 Co1 P4 O16\n1.0\n5.891836 0.000000 0.000000\n0.000000 4.893577 0.000000\n0.000000 0.087167 10.022005\nV Co P O\n3 1 4 16\ndirect\n0.000000 0.479695 0.770467 V\n0.500000 0.544109 0.222970 V\n0.500000 0.976846 0.731120 V\n0.000000 0.036798 0.276498 Co\n0.500000 0.107256 0.400639 P\n0.500000 0.409269 0.906014 P\n0.000000 0.560421 0.094825 P\n0.000000 0.914350 0.595815 P\n0.500000 0.147746 0.550953 O\n0.300739 0.265431 0.328331 O\n0.699261 0.265431 0.328331 O\n0.000000 0.220026 0.623434 O\n0.000000 0.255451 0.110874 O\n0.296621 0.263132 0.832430 O\n0.703379 0.263132 0.832430 O\n0.500000 0.337694 0.056122 O\n0.000000 0.651887 0.949265 O\n0.790881 0.702287 0.170248 O\n0.209119 0.702287 0.170248 O\n0.500000 0.716488 0.882895 O\n0.500000 0.799552 0.370756 O\n0.796415 0.766637 0.672794 O\n0.203585 0.766637 0.672794 O\n0.000000 0.847437 0.449743 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "V",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-O-P-V",
            "density": 3.39998688577278,
            "density_atomic": 0.0830576330652216,
            "volume": 288.95598290350785,
            "volume_molar": 7.2505566770378245,
            "formula_full": "V3 Co1 P4 O16",
            "formula_reduced": "V3Co(PO4)4",
            "formula_anonymous": "AB3C4D16",
            "energy": -196.10967268,
            "energy_per_atom": -8.171236361666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -178.37967268,
            "band_gap": 0.7652999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.488000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1180803",
            "created_at": "2022-09-04T14:48:05.780553Z",
            "structure_string": "Li18 C18 O36\n1.0\n7.795628 -13.502424 0.000000\n7.795628 13.502424 0.000000\n0.000000 0.000000 5.574097\nLi C O\n18 18 36\ndirect\n0.196666 0.535573 0.270990 Li\n0.338908 0.803334 0.270990 Li\n0.464427 0.661092 0.270990 Li\n0.803334 0.464427 0.770990 Li\n0.661092 0.196666 0.770990 Li\n0.535573 0.338908 0.770990 Li\n0.021785 0.296591 0.553397 Li\n0.274805 0.978215 0.553397 Li\n0.703409 0.725195 0.553397 Li\n0.978215 0.703409 0.053397 Li\n0.725195 0.021785 0.053397 Li\n0.296591 0.274805 0.053397 Li\n0.859822 0.665185 0.522439 Li\n0.805363 0.140178 0.522439 Li\n0.334815 0.194637 0.522439 Li\n0.140178 0.334815 0.022439 Li\n0.194637 0.859822 0.022439 Li\n0.665185 0.805363 0.022439 Li\n0.146185 0.493289 0.750742 C\n0.347104 0.853815 0.750742 C\n0.506711 0.652896 0.750742 C\n0.853815 0.506711 0.250742 C\n0.652896 0.146185 0.250742 C\n0.493289 0.347104 0.250742 C\n0.867790 0.338355 0.713641 C\n0.470565 0.132210 0.713641 C\n0.661645 0.529435 0.713641 C\n0.132210 0.661645 0.213641 C\n0.529435 0.867790 0.213641 C\n0.338355 0.470565 0.213641 C\n0.977148 0.201730 0.040971 C\n0.224582 0.022852 0.040971 C\n0.798270 0.775418 0.040971 C\n0.022852 0.798270 0.540971 C\n0.775418 0.977148 0.540971 C\n0.201730 0.224582 0.540971 C\n0.123971 0.448413 0.553807 O\n0.324442 0.876029 0.553807 O\n0.551587 0.675558 0.553807 O\n0.876029 0.551587 0.053807 O\n0.675558 0.123971 0.053807 O\n0.448413 0.324442 0.053807 O\n0.859193 0.537455 0.461064 O\n0.678262 0.140807 0.461064 O\n0.462545 0.321738 0.461064 O\n0.140807 0.462545 0.961064 O\n0.321738 0.859193 0.961064 O\n0.537455 0.678262 0.961064 O\n0.787536 0.330534 0.779361 O\n0.542999 0.212464 0.779361 O\n0.669466 0.457001 0.779361 O\n0.212464 0.669466 0.279361 O\n0.457001 0.787536 0.279361 O\n0.330534 0.542999 0.279361 O\n0.888625 0.277301 0.624576 O\n0.388676 0.111375 0.624576 O\n0.722699 0.611324 0.624576 O\n0.111375 0.722699 0.124576 O\n0.611324 0.888625 0.124576 O\n0.277301 0.388676 0.124576 O\n0.798760 0.022158 0.344363 O\n0.223397 0.201240 0.344363 O\n0.977842 0.776603 0.344363 O\n0.201240 0.977842 0.844363 O\n0.776603 0.798760 0.844363 O\n0.022158 0.223397 0.844363 O\n0.009085 0.239130 0.243517 O\n0.230045 0.990915 0.243517 O\n0.760870 0.769955 0.243517 O\n0.990915 0.760870 0.743517 O\n0.769955 0.009085 0.743517 O\n0.239130 0.230045 0.743517 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Li",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-O",
            "density": 1.2977848107917123,
            "density_atomic": 0.06135714318390209,
            "volume": 1173.457502481801,
            "volume_molar": 9.814897577532577,
            "formula_full": "Li18 C18 O36",
            "formula_reduced": "LiCO2",
            "formula_anonymous": "ABC2",
            "energy": -488.17690156,
            "energy_per_atom": -6.780234743888888,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -463.44490156,
            "band_gap": 0.3933999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.072696,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:32.565000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-1102885",
            "created_at": "2022-09-04T14:48:05.795139Z",
            "structure_string": "K2 U1 Br4 O4\n1.0\n6.849435 -0.295912 -1.381555\n-3.492850 6.465437 0.008517\n-0.232846 0.553791 8.199523\nK U Br O\n2 1 4 4\ndirect\n0.602987 0.286662 0.833526 K\n0.397013 0.713338 0.166474 K\n0.000000 0.000000 0.000000 U\n0.851932 0.614406 0.162699 Br\n0.148068 0.385594 0.837301 Br\n0.822313 0.776179 0.687678 Br\n0.177687 0.223821 0.312322 Br\n0.731382 0.989512 0.992724 O\n0.268618 0.010488 0.007276 O\n0.436311 0.924427 0.536423 O\n0.563689 0.075573 0.463577 O\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "K",
                "U",
                "Br",
                "O"
            ],
            "chemical_system": "Br-K-O-U",
            "density": 3.271720805375408,
            "density_atomic": 0.030968602978790564,
            "volume": 355.1984572095021,
            "volume_molar": 19.445955518640535,
            "formula_full": "K2 U1 Br4 O4",
            "formula_reduced": "K2U(BrO)4",
            "formula_anonymous": "AB2C4D4",
            "energy": -58.76621415,
            "energy_per_atom": -5.342383104545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.12221415,
            "band_gap": 1.2993,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.999174,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.172000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-762507",
            "created_at": "2022-09-04T14:48:05.819617Z",
            "structure_string": "Li4 Cr2 Ni2 O8\n1.0\n-2.914502 2.924179 4.141943\n2.914502 -2.924179 4.141943\n2.914502 2.924179 -4.141943\nLi Cr Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.746635 0.762471 0.984164 O\n0.750863 0.232014 0.981151 O\n0.278306 0.762471 0.515836 O\n0.750863 0.769712 0.518849 O\n0.249137 0.230288 0.481151 O\n0.721694 0.237529 0.484164 O\n0.249137 0.767986 0.018849 O\n0.253365 0.237529 0.015836 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "Ni",
                "O"
            ],
            "chemical_system": "Cr-Li-Ni-O",
            "density": 4.435240767376399,
            "density_atomic": 0.11331504139272608,
            "volume": 141.19926007481538,
            "volume_molar": 5.314511371114915,
            "formula_full": "Li4 Cr2 Ni2 O8",
            "formula_reduced": "Li2CrNiO4",
            "formula_anonymous": "ABC2D4",
            "energy": -109.41908766,
            "energy_per_atom": -6.83869297875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.84308766,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0004719,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.940000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1219511",
            "created_at": "2022-09-04T14:48:05.898456Z",
            "structure_string": "Sb4 O16\n1.0\n-3.664909 3.695316 5.229185\n3.664909 -3.695316 5.229185\n3.664909 3.695316 -5.229185\nSb O\n4 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.926735 0.675392 0.851364 O\n0.324028 0.075371 0.648636 O\n0.925666 0.675666 0.250000 O\n0.322383 0.072383 0.250000 O\n0.926735 0.075371 0.251343 O\n0.324028 0.675392 0.248657 O\n0.073265 0.324608 0.148636 O\n0.675972 0.924629 0.351364 O\n0.074334 0.324334 0.750000 O\n0.677617 0.927617 0.750000 O\n0.073265 0.924629 0.748657 O\n0.675972 0.324608 0.751343 O\n0.376528 0.626528 0.750000 O\n0.623472 0.373472 0.250000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb",
            "density": 4.355589117867341,
            "density_atomic": 0.07060268535334725,
            "volume": 283.27534427204057,
            "volume_molar": 8.52961998521844,
            "formula_full": "Sb4 O16",
            "formula_reduced": "SbO4",
            "formula_anonymous": "AB4",
            "energy": -110.40425858,
            "energy_per_atom": -5.520212929,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.41225858,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0081998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.902000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-34140",
            "created_at": "2022-09-04T14:48:05.575783Z",
            "structure_string": "Zn6 Fe12 O24\n1.0\n3.032681 -5.252757 0.000000\n3.032681 5.252757 0.000000\n0.000000 0.000000 14.849718\nZn Fe O\n6 12 24\ndirect\n0.666667 0.333333 0.954644 Zn\n0.000000 0.000000 0.998153 Zn\n0.000000 0.000000 0.624599 Zn\n0.333333 0.666667 0.292391 Zn\n0.666667 0.333333 0.710197 Zn\n0.000000 0.000000 0.375065 Zn\n0.164648 0.835352 0.833566 Fe\n0.000352 0.500176 0.500672 Fe\n0.333333 0.666667 0.667781 Fe\n0.164648 0.329296 0.833566 Fe\n0.499824 0.500176 0.500672 Fe\n0.670704 0.835352 0.833566 Fe\n0.666667 0.333333 0.334622 Fe\n0.499824 0.999648 0.500672 Fe\n0.832312 0.167688 0.166918 Fe\n0.832312 0.664624 0.166918 Fe\n0.335376 0.167688 0.166918 Fe\n0.333333 0.666667 0.042942 Fe\n0.844280 0.155720 0.908977 O\n0.844280 0.688560 0.908977 O\n0.000000 0.000000 0.758933 O\n0.311440 0.155720 0.908977 O\n0.180517 0.819483 0.579478 O\n0.030068 0.515034 0.753574 O\n0.333333 0.666667 0.911946 O\n0.484966 0.969932 0.753574 O\n0.180517 0.361034 0.579478 O\n0.333333 0.666667 0.426857 O\n0.638966 0.819483 0.579478 O\n0.484966 0.515034 0.753574 O\n0.514244 0.485756 0.246807 O\n0.360754 0.180377 0.419886 O\n0.666667 0.333333 0.573283 O\n0.819623 0.639246 0.419886 O\n0.666667 0.333333 0.092997 O\n0.514244 0.028488 0.246807 O\n0.971512 0.485756 0.246807 O\n0.819623 0.180377 0.419886 O\n0.679526 0.839763 0.089253 O\n0.160237 0.320474 0.089253 O\n0.000000 0.000000 0.238154 O\n0.160237 0.839763 0.089253 O\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "Zn",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O-Zn",
            "density": 5.077257515794636,
            "density_atomic": 0.08877425733840598,
            "volume": 473.11012515595263,
            "volume_molar": 6.783656592072295,
            "formula_full": "Zn6 Fe12 O24",
            "formula_reduced": "Zn(FeO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -300.25443138,
            "energy_per_atom": -7.148915032857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -256.69443138,
            "band_gap": 1.1565999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 60.0007259,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:25.277000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-685514",
            "created_at": "2022-09-04T14:48:05.782770Z",
            "structure_string": "K14 Mo72 S88\n1.0\n7.912681 -0.000057 10.568535\n-0.035048 18.735920 49.393509\n-0.017485 -0.000056 24.696774\nK Mo S\n14 72 88\ndirect\n0.052581 -0.000001 0.052634 K\n0.052621 0.249981 0.052644 K\n0.449210 -0.000005 0.449252 K\n0.447244 0.250198 0.447011 K\n0.552618 0.250012 0.552581 K\n0.947753 0.000013 0.947118 K\n0.052651 0.750012 0.052575 K\n0.447779 0.499985 0.447162 K\n0.552577 0.499997 0.552633 K\n0.947255 0.249816 0.947774 K\n0.447035 0.749852 0.447799 K\n0.552665 0.749970 0.552656 K\n0.949200 0.500015 0.949214 K\n0.947036 0.750147 0.947211 K\n0.026567 0.045122 0.176974 Mo\n0.355977 0.037044 0.028346 Mo\n0.250048 0.083723 0.082561 Mo\n0.143084 0.037194 0.323390 Mo\n0.471691 0.044945 0.143731 Mo\n0.028144 0.294782 0.176790 Mo\n0.176896 0.167324 0.357475 Mo\n0.357325 0.287054 0.027287 Mo\n0.082519 0.208229 0.417281 Mo\n0.250214 0.333524 0.082780 Mo\n0.418267 0.207881 0.250051 Mo\n0.142084 0.287322 0.324412 Mo\n0.323319 0.167750 0.472169 Mo\n0.472391 0.294988 0.143598 Mo\n0.675415 0.081669 0.528759 Mo\n0.583033 0.041855 0.749879 Mo\n0.917200 0.041793 0.582869 Mo\n0.028642 0.544899 0.175647 Mo\n0.175440 0.418347 0.355407 Mo\n0.355410 0.536687 0.028675 Mo\n0.823658 0.082149 0.643495 Mo\n0.083036 0.458143 0.417292 Mo\n0.250235 0.583608 0.082722 Mo\n0.417194 0.458213 0.250030 Mo\n0.143604 0.537031 0.323669 Mo\n0.323666 0.417859 0.472066 Mo\n0.473797 0.545475 0.142194 Mo\n0.528150 0.205226 0.855897 Mo\n0.676926 0.332668 0.526773 Mo\n0.857311 0.212956 0.675497 Mo\n0.582521 0.291777 0.750173 Mo\n0.750221 0.166479 0.916862 Mo\n0.918265 0.292117 0.581577 Mo\n0.027326 0.795358 0.175722 Mo\n0.176630 0.668098 0.355984 Mo\n0.642081 0.212685 0.973692 Mo\n0.357499 0.787541 0.026662 Mo\n0.823338 0.332247 0.643157 Mo\n0.972393 0.205026 0.823514 Mo\n0.082856 0.708325 0.416869 Mo\n0.249975 0.834166 0.081634 Mo\n0.417214 0.708022 0.250350 Mo\n0.143593 0.787128 0.323702 Mo\n0.324299 0.667149 0.473569 Mo\n0.472289 0.794962 0.143298 Mo\n0.526546 0.454875 0.857475 Mo\n0.675599 0.582468 0.527399 Mo\n0.855989 0.462950 0.676521 Mo\n0.581642 0.542095 0.749946 Mo\n0.750023 0.416280 0.917464 Mo\n0.916786 0.541875 0.582823 Mo\n0.175607 0.917536 0.357262 Mo\n0.643097 0.462811 0.972130 Mo\n0.823488 0.582005 0.643670 Mo\n0.971683 0.455055 0.823512 Mo\n0.081638 0.957903 0.418321 Mo\n0.416786 0.958129 0.250308 Mo\n0.323518 0.917989 0.471701 Mo\n0.527353 0.704636 0.857151 Mo\n0.676643 0.831895 0.528378 Mo\n0.857484 0.712458 0.676839 Mo\n0.582852 0.791675 0.750164 Mo\n0.749983 0.665835 0.918288 Mo\n0.917207 0.791968 0.582461 Mo\n0.643600 0.712867 0.972219 Mo\n0.824322 0.832847 0.642161 Mo\n0.972275 0.705041 0.823135 Mo\n0.528614 0.955093 0.855256 Mo\n0.855438 0.963305 0.675402 Mo\n0.750210 0.916389 0.917175 Mo\n0.643598 0.962969 0.971787 Mo\n0.973801 0.954515 0.824119 Mo\n0.135829 0.000037 0.136265 S\n0.284575 0.151648 0.016271 S\n0.363706 0.000032 0.363876 S\n0.445358 0.173754 0.054718 S\n0.136178 0.249888 0.136393 S\n0.121412 0.067171 0.516552 S\n0.785148 0.099003 0.121066 S\n0.483403 0.165668 0.215694 S\n0.249683 0.098272 0.553654 S\n0.016204 0.165713 0.622107 S\n0.285140 0.401001 0.017073 S\n0.946819 0.075974 0.249642 S\n0.622382 0.182538 0.285150 S\n0.377417 0.067244 0.715133 S\n0.363793 0.250008 0.363853 S\n0.054716 0.173851 0.749985 S\n0.446815 0.424031 0.053530 S\n0.983857 0.084458 0.377536 S\n0.135133 0.500031 0.135112 S\n0.122394 0.317465 0.515290 S\n0.750132 0.152305 0.445526 S\n0.515975 0.084591 0.784575 S\n0.215085 0.151468 0.877734 S\n0.784589 0.348360 0.122842 S\n0.483865 0.415541 0.215362 S\n0.250130 0.347702 0.554730 S\n0.877657 0.182748 0.484035 S\n0.864132 -0.000046 0.863850 S\n0.015980 0.415413 0.622932 S\n0.554796 0.076078 0.945478 S\n0.284870 0.651406 0.016565 S\n0.945375 0.326253 0.249717 S\n0.636183 0.250116 0.635932 S\n0.621415 0.432831 0.285231 S\n0.377660 0.317260 0.715010 S\n0.364142 0.500048 0.363657 S\n0.054777 0.423927 0.749787 S\n0.715436 0.098446 0.983691 S\n0.445430 0.673782 0.054719 S\n0.983403 0.334338 0.378347 S\n0.136354 0.750104 0.135883 S\n0.122932 0.567214 0.515841 S\n0.749693 0.401732 0.446733 S\n0.516205 0.334293 0.784945 S\n0.215421 0.401553 0.877483 S\n0.785059 0.598372 0.122292 S\n0.483900 0.665655 0.215080 S\n0.249771 0.597607 0.554834 S\n0.877407 0.432761 0.484098 S\n0.863794 0.250006 0.863852 S\n0.016802 0.665998 0.621147 S\n0.554722 0.326157 0.945374 S\n0.285044 0.901626 0.015787 S\n0.945779 0.576113 0.250082 S\n0.635824 0.499957 0.636424 S\n0.622128 0.682725 0.285124 S\n0.378348 0.567030 0.715485 S\n0.363977 0.749986 0.363798 S\n0.053492 0.674283 0.749753 S\n0.715094 0.348533 0.983600 S\n0.445761 0.923884 0.054546 S\n0.984020 0.584518 0.377337 S\n0.122139 0.817264 0.516046 S\n0.749985 0.652361 0.445324 S\n0.515472 0.584396 0.784958 S\n0.215249 0.651501 0.877593 S\n0.784884 0.848592 0.122183 S\n0.484019 0.915476 0.215419 S\n0.249983 0.847633 0.554777 S\n0.877362 0.682777 0.484197 S\n0.863693 0.499973 0.863994 S\n0.015475 0.915605 0.622536 S\n0.554451 0.576181 0.945581 S\n0.945442 0.826210 0.249865 S\n0.636361 0.749884 0.636316 S\n0.622925 0.932785 0.284699 S\n0.377367 0.817215 0.715320 S\n0.054438 0.923816 0.750311 S\n0.715774 0.598847 0.983041 S\n0.983901 0.834337 0.377716 S\n0.749779 0.902390 0.445267 S\n0.516795 0.833999 0.785146 S\n0.215760 0.901148 0.878444 S\n0.878346 0.932972 0.483603 S\n0.863980 0.750008 0.863750 S\n0.553503 0.825713 0.946894 S\n0.635121 0.999968 0.635233 S\n0.715266 0.848494 0.983601 S\n",
            "nsites": 174,
            "nelements": 3,
            "elements": [
                "K",
                "Mo",
                "S"
            ],
            "chemical_system": "K-Mo-S",
            "density": 4.656439969939946,
            "density_atomic": 0.0474785295913488,
            "volume": 3664.8144223848294,
            "volume_molar": 12.683924316597436,
            "formula_full": "K14 Mo72 S88",
            "formula_reduced": "K7(Mo9S11)4",
            "formula_anonymous": "A7B36C44",
            "energy": -1337.54499873,
            "energy_per_atom": -7.687040222586208,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1293.28099873,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0158749,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:25.263000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1198684",
            "created_at": "2022-09-04T14:48:05.789344Z",
            "structure_string": "K12 Mo14 O68\n1.0\n4.424442 -9.755774 0.000000\n4.424442 9.755774 0.000000\n0.000000 0.000000 19.146522\nK Mo O\n12 14 68\ndirect\n0.613840 0.613840 0.500000 K\n0.613840 0.613840 0.000000 K\n0.231965 0.504020 0.250000 K\n0.504020 0.231965 0.750000 K\n0.964371 0.143448 0.388523 K\n0.143448 0.964371 0.611477 K\n0.964371 0.143448 0.111477 K\n0.143448 0.964371 0.888523 K\n0.742719 0.333278 0.460522 K\n0.333278 0.742719 0.539478 K\n0.742719 0.333278 0.039478 K\n0.333278 0.742719 0.960522 K\n0.191078 0.912103 0.419732 Mo\n0.912103 0.191078 0.580268 Mo\n0.191078 0.912103 0.080268 Mo\n0.912103 0.191078 0.919732 Mo\n0.144571 0.877224 0.250000 Mo\n0.877224 0.144571 0.750000 Mo\n0.373301 0.260500 0.337799 Mo\n0.260500 0.373301 0.662201 Mo\n0.373301 0.260500 0.162201 Mo\n0.260500 0.373301 0.837799 Mo\n0.456657 0.907613 0.337176 Mo\n0.907613 0.456657 0.662824 Mo\n0.456657 0.907613 0.162824 Mo\n0.907613 0.456657 0.837176 Mo\n0.969011 0.806725 0.472165 O\n0.806725 0.969011 0.527835 O\n0.969011 0.806725 0.027835 O\n0.806725 0.969011 0.972165 O\n0.990648 0.692785 0.465098 O\n0.692785 0.990648 0.534902 O\n0.990648 0.692785 0.034902 O\n0.692785 0.990648 0.965098 O\n0.016997 0.777981 0.325658 O\n0.777981 0.016997 0.674342 O\n0.016997 0.777981 0.174342 O\n0.777981 0.016997 0.825658 O\n0.317748 0.004120 0.493164 O\n0.004120 0.317748 0.506836 O\n0.317748 0.004120 0.006836 O\n0.004120 0.317748 0.993164 O\n0.349495 0.036122 0.337649 O\n0.036122 0.349495 0.662351 O\n0.349495 0.036122 0.162351 O\n0.036122 0.349495 0.837649 O\n0.185601 0.087257 0.398244 O\n0.087257 0.185601 0.601756 O\n0.185601 0.087257 0.101756 O\n0.087257 0.185601 0.898244 O\n0.259337 0.784332 0.397895 O\n0.784332 0.259337 0.602105 O\n0.259337 0.784332 0.102105 O\n0.784332 0.259337 0.897895 O\n0.190697 0.081052 0.250000 O\n0.081052 0.190697 0.750000 O\n0.257235 0.794773 0.250000 O\n0.794773 0.257235 0.750000 O\n0.535751 0.364791 0.398270 O\n0.364791 0.535751 0.601730 O\n0.535751 0.364791 0.101730 O\n0.364791 0.535751 0.898270 O\n0.494455 0.331811 0.250000 O\n0.331811 0.494455 0.750000 O\n0.303220 0.370859 0.337527 O\n0.370859 0.303220 0.662473 O\n0.303220 0.370859 0.162473 O\n0.370859 0.303220 0.837527 O\n0.616499 0.051589 0.395645 O\n0.051589 0.616499 0.604355 O\n0.616499 0.051589 0.104355 O\n0.051589 0.616499 0.895645 O\n0.568718 0.023374 0.250000 O\n0.023374 0.568718 0.750000 O\n0.461887 0.748281 0.333543 O\n0.748281 0.461887 0.666457 O\n0.461887 0.748281 0.166457 O\n0.748281 0.461887 0.833543 O\n0.931664 0.116462 0.250000 O\n0.116462 0.931664 0.750000 O\n0.863682 0.381864 0.250000 O\n0.381864 0.863682 0.750000 O\n0.800376 0.805303 0.380068 O\n0.805303 0.800376 0.619932 O\n0.800376 0.805303 0.119932 O\n0.805303 0.800376 0.880068 O\n0.340720 0.535194 0.426176 O\n0.535194 0.340720 0.573824 O\n0.340720 0.535194 0.073824 O\n0.535194 0.340720 0.926176 O\n0.929729 0.384350 0.307865 O\n0.384350 0.929729 0.692135 O\n0.929729 0.384350 0.192135 O\n0.384350 0.929729 0.807865 O\n",
            "nsites": 94,
            "nelements": 3,
            "elements": [
                "K",
                "Mo",
                "O"
            ],
            "chemical_system": "K-Mo-O",
            "density": 2.9137461474117146,
            "density_atomic": 0.05687058891312794,
            "volume": 1652.8754457526138,
            "volume_molar": 10.589200630925514,
            "formula_full": "K12 Mo14 O68",
            "formula_reduced": "K6Mo7O34",
            "formula_anonymous": "A6B7C34",
            "energy": -593.13153771,
            "energy_per_atom": -6.3099099756382975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -548.30353771,
            "band_gap": 0.019,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.8525527,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:15.958000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-772554",
            "created_at": "2022-09-04T14:48:05.859670Z",
            "structure_string": "Li4 Nb3 V5 O16\n1.0\n6.062467 0.004308 0.061465\n-3.027512 5.243630 -0.000318\n0.100986 0.057778 9.854693\nLi Nb V O\n4 3 5 16\ndirect\n0.332983 0.666513 0.898292 Li\n0.016838 0.008431 0.994609 Li\n0.018159 0.009084 0.494593 Li\n0.669125 0.334603 0.386735 Li\n0.660992 0.830545 0.214905 Nb\n0.821969 0.649009 0.713810 Nb\n0.822010 0.173068 0.713804 Nb\n0.169687 0.828460 0.213371 V\n0.321219 0.660619 0.485505 V\n0.169747 0.341186 0.213369 V\n0.345438 0.172737 0.710954 V\n0.658331 0.329182 0.993665 V\n0.155119 0.823443 0.599480 O\n0.036775 0.518387 0.334085 O\n0.346703 0.673355 0.100416 O\n0.993633 0.996779 0.312546 O\n0.994849 0.997475 0.810783 O\n0.155132 0.331714 0.599490 O\n0.481212 0.958964 0.341060 O\n0.481185 0.522249 0.341049 O\n0.327515 0.163726 0.102816 O\n0.672645 0.836336 0.601335 O\n0.526140 0.489013 0.844342 O\n0.526139 0.037178 0.844334 O\n0.671692 0.335848 0.586914 O\n0.830575 0.672078 0.102921 O\n0.963500 0.481803 0.849732 O\n0.830683 0.158517 0.102927 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Nb",
                "V",
                "O"
            ],
            "chemical_system": "Li-Nb-O-V",
            "density": 4.330365545734925,
            "density_atomic": 0.08935424937111794,
            "volume": 313.3594674799033,
            "volume_molar": 6.739624363009358,
            "formula_full": "Li4 Nb3 V5 O16",
            "formula_reduced": "Li4Nb3V5O16",
            "formula_anonymous": "A3B4C5D16",
            "energy": -236.1622428,
            "energy_per_atom": -8.434365814285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -216.6702428,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9999995,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:30.056000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1235147",
            "created_at": "2022-09-04T14:48:05.576425Z",
            "structure_string": "Sr2 Li1 Ti6 N2 O11\n1.0\n-0.000596 3.887113 0.000177\n-7.551081 1.944707 -0.099621\n-1.373761 0.000719 9.287338\nSr Li Ti N O\n2 1 6 2 11\ndirect\n0.529607 0.938397 0.766577 Sr\n0.445057 0.105944 0.230457 Sr\n0.711573 0.573314 0.958305 Li\n0.124008 0.748415 0.101567 Ti\n0.162332 0.671523 0.423511 Ti\n0.233699 0.529342 0.751528 Ti\n0.759773 0.476817 0.239181 Ti\n0.831402 0.334158 0.561779 Ti\n0.881925 0.232851 0.918692 Ti\n0.230657 0.535136 0.254590 N\n0.831404 0.333801 0.088770 N\n0.058884 0.878252 0.295563 O\n0.127285 0.741451 0.628238 O\n0.174311 0.647959 0.920754 O\n0.630355 0.735718 0.107323 O\n0.691749 0.612894 0.442135 O\n0.759334 0.478067 0.766332 O\n0.298257 0.400224 0.568984 O\n0.370818 0.255107 0.872492 O\n0.869869 0.257051 0.384070 O\n0.933069 0.131146 0.684998 O\n0.001959 0.992445 0.988852 O\n",
            "nsites": 22,
            "nelements": 5,
            "elements": [
                "Sr",
                "Li",
                "Ti",
                "N",
                "O"
            ],
            "chemical_system": "Li-N-O-Sr-Ti",
            "density": 4.094093572999729,
            "density_atomic": 0.08054986448772945,
            "volume": 273.1227437800515,
            "volume_molar": 7.476289126367657,
            "formula_full": "Sr2 Li1 Ti6 N2 O11",
            "formula_reduced": "Sr2LiTi6N2O11",
            "formula_anonymous": "AB2C2D6E11",
            "energy": -191.57088606,
            "energy_per_atom": -8.707767548181819,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -183.29188606,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0480342,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.269000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1047169",
            "created_at": "2022-09-04T14:48:05.616848Z",
            "structure_string": "Al1 Ag1 W2 O8\n1.0\n5.128212 0.000000 0.000000\n-1.988356 5.361866 0.000000\n-0.173847 -2.295023 5.251014\nAl Ag W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Ag\n0.252564 0.499645 0.184704 W\n0.747436 0.500355 0.815296 W\n0.212805 0.788540 0.439482 O\n0.228249 0.255906 0.329714 O\n0.131824 0.689154 0.962350 O\n0.328160 0.295268 0.813396 O\n0.771751 0.744094 0.670286 O\n0.787195 0.211460 0.560518 O\n0.868176 0.310846 0.037650 O\n0.671840 0.704732 0.186604 O\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Al",
                "Ag",
                "W",
                "O"
            ],
            "chemical_system": "Ag-Al-O-W",
            "density": 7.251473479899772,
            "density_atomic": 0.08311054745986791,
            "volume": 144.38600594941948,
            "volume_molar": 7.245940430013346,
            "formula_full": "Al1 Ag1 W2 O8",
            "formula_reduced": "AlAg(WO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -96.55308201,
            "energy_per_atom": -8.0460901675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.18108201,
            "band_gap": 1.5724,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.41e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.967000Z",
            "spacegroup": 2
        }
    ]
}