GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=6
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=7",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=5",
    "results": [
        {
            "id": "mp-2384",
            "created_at": "2022-09-04T14:44:17.197307Z",
            "structure_string": "La1 P1\n1.0\n0.000000 3.025454 3.025454\n3.025454 0.000000 3.025454\n3.025454 3.025454 0.000000\nLa P\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 P\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "La",
                "P"
            ],
            "chemical_system": "La-P",
            "density": 5.093164792301468,
            "density_atomic": 0.036110070598523905,
            "volume": 55.38621129369255,
            "volume_molar": 16.67717802868591,
            "formula_full": "La1 P1",
            "formula_reduced": "LaP",
            "formula_anonymous": "AB",
            "energy": -13.48584123,
            "energy_per_atom": -6.742920615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.48584123,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:25.579000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-626103",
            "created_at": "2022-09-04T14:44:17.213267Z",
            "structure_string": "Al8 H24 O24\n1.0\n5.069112 0.000000 0.000000\n0.006036 8.847881 0.000000\n0.121809 0.511574 9.699928\nAl H O\n8 24 24\ndirect\n0.017700 0.667999 0.504832 Al\n0.480853 0.156797 0.989646 Al\n0.984018 0.344253 0.501842 Al\n0.513758 0.821854 0.002335 Al\n0.522049 0.837505 0.503053 Al\n0.979086 0.324145 0.997902 Al\n0.480426 0.170169 0.497221 Al\n0.019518 0.659899 0.008885 Al\n0.712635 0.696018 0.708619 H\n0.797798 0.140705 0.192970 H\n0.300990 0.341579 0.297413 H\n0.214140 0.797833 0.799056 H\n0.014597 0.099102 0.604500 H\n0.321793 0.679100 0.213464 H\n0.945449 0.921980 0.383443 H\n0.674861 0.318062 0.791106 H\n0.625366 0.004897 0.704474 H\n0.664952 0.502786 0.117472 H\n0.385499 0.994465 0.296791 H\n0.328693 0.473008 0.900484 H\n0.121678 0.492113 0.710263 H\n0.164629 0.965075 0.096447 H\n0.892775 0.518932 0.296561 H\n0.828714 0.008995 0.891117 H\n0.094858 0.896781 0.621756 H\n0.228541 0.203857 0.178489 H\n0.735458 0.280443 0.309986 H\n0.640827 0.579510 0.886208 H\n0.559020 0.414419 0.602462 H\n0.818399 0.807922 0.207470 H\n0.435653 0.591220 0.401915 H\n0.176163 0.190172 0.787058 H\n0.702987 0.689128 0.607774 O\n0.789547 0.168437 0.094858 O\n0.299972 0.326903 0.397749 O\n0.205363 0.806295 0.899833 O\n0.148406 0.179601 0.605107 O\n0.331234 0.664904 0.112872 O\n0.842580 0.828511 0.391684 O\n0.660744 0.326971 0.893083 O\n0.646002 0.008890 0.602061 O\n0.856440 0.487550 0.112259 O\n0.367565 0.001134 0.397611 O\n0.139046 0.493357 0.900786 O\n0.131496 0.493651 0.608860 O\n0.354942 0.983010 0.105169 O\n0.869947 0.517347 0.397594 O\n0.636384 0.998696 0.885906 O\n0.205504 0.807657 0.615447 O\n0.284769 0.285275 0.113056 O\n0.792730 0.208145 0.382848 O\n0.711064 0.681437 0.893364 O\n0.656344 0.318375 0.609119 O\n0.827225 0.807231 0.105511 O\n0.340977 0.687916 0.397409 O\n0.168981 0.183595 0.889188 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Al",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-O",
            "density": 2.381846831802634,
            "density_atomic": 0.12872068924279428,
            "volume": 435.05049832643624,
            "volume_molar": 4.678455961839186,
            "formula_full": "Al8 H24 O24",
            "formula_reduced": "Al(HO)3",
            "formula_anonymous": "AB3C3",
            "energy": -343.84388078,
            "energy_per_atom": -6.140069299642858,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -327.35588078,
            "band_gap": 4.9129000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:33.867000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-114",
            "created_at": "2022-09-04T14:44:17.216199Z",
            "structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
            "nsites": 1,
            "nelements": 1,
            "elements": [
                "Pu"
            ],
            "chemical_system": "Pu",
            "density": 14.76070055473347,
            "density_atomic": 0.036430744462104044,
            "volume": 27.449342986669382,
            "volume_molar": 16.530380723524182,
            "formula_full": "Pu1",
            "formula_reduced": "Pu",
            "formula_anonymous": "A",
            "energy": -13.99062127,
            "energy_per_atom": -13.99062127,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.99062127,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.7357689,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:31.375000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1191376",
            "created_at": "2022-09-04T14:44:17.216595Z",
            "structure_string": "Te2 C4 S4 N8 Cl4\n1.0\n3.913238 8.304618 0.000000\n-3.913238 8.304618 0.000000\n0.000000 5.530316 8.494143\nTe C S N Cl\n2 4 4 8 4\ndirect\n0.106992 0.893008 0.750000 Te\n0.893008 0.106992 0.250000 Te\n0.216529 0.491241 0.084695 C\n0.508759 0.783471 0.415305 C\n0.783471 0.508759 0.915305 C\n0.491241 0.216529 0.584695 C\n0.279882 0.505752 0.875510 S\n0.494248 0.720118 0.624490 S\n0.720118 0.494248 0.124490 S\n0.505752 0.279882 0.375510 S\n0.210652 0.336370 0.185671 N\n0.663630 0.789348 0.314329 N\n0.789348 0.663630 0.814329 N\n0.336370 0.210652 0.685671 N\n0.196803 0.639541 0.096809 N\n0.360459 0.803197 0.403191 N\n0.803197 0.360459 0.903191 N\n0.639541 0.196803 0.596809 N\n0.781099 0.971939 0.938579 Cl\n0.028061 0.218901 0.561421 Cl\n0.218901 0.028061 0.061421 Cl\n0.971939 0.781099 0.438579 Cl\n",
            "nsites": 22,
            "nelements": 5,
            "elements": [
                "Te",
                "C",
                "S",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-N-S-Te",
            "density": 2.0614257083775787,
            "density_atomic": 0.039848978637079945,
            "volume": 552.0844135143966,
            "volume_molar": 15.112409316298832,
            "formula_full": "Te2 C4 S4 N8 Cl4",
            "formula_reduced": "TeC2S2(N2Cl)2",
            "formula_anonymous": "AB2C2D2E4",
            "energy": -118.04555748,
            "energy_per_atom": -5.365707158181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -110.68955748,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.997055,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.756000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-21973",
            "created_at": "2022-09-04T14:44:17.204942Z",
            "structure_string": "Ce2 Tl10 Co4 N24 O48\n1.0\n10.758544 0.000000 0.000000\n0.000000 10.758544 0.000000\n0.000000 0.000000 10.758544\nCe Tl Co N O\n2 10 4 24 48\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.250000 0.750000 0.250000 Tl\n0.750000 0.250000 0.250000 Tl\n0.250000 0.250000 0.750000 Tl\n0.750000 0.750000 0.750000 Tl\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.243403 0.064791 0.249877 N\n0.564791 0.749877 0.256597 N\n0.564791 0.250123 0.743403 N\n0.435209 0.749877 0.743403 N\n0.250123 0.743403 0.564791 N\n0.743403 0.435209 0.749877 N\n0.743403 0.564791 0.250123 N\n0.749877 0.256597 0.564791 N\n0.256597 0.564791 0.749877 N\n0.749877 0.743403 0.435209 N\n0.250123 0.256597 0.435209 N\n0.256597 0.435209 0.250123 N\n0.435209 0.250123 0.256597 N\n0.935209 0.750123 0.243403 N\n0.935209 0.249877 0.756597 N\n0.064791 0.750123 0.756597 N\n0.064791 0.249877 0.243403 N\n0.249877 0.756597 0.935209 N\n0.249877 0.243403 0.064791 N\n0.750123 0.756597 0.064791 N\n0.243403 0.935209 0.750123 N\n0.750123 0.243403 0.935209 N\n0.756597 0.935209 0.249877 N\n0.756597 0.064791 0.750123 N\n0.507106 0.850268 0.242701 O\n0.350268 0.742701 0.992894 O\n0.007106 0.649732 0.742701 O\n0.992894 0.350268 0.742701 O\n0.992894 0.649732 0.257299 O\n0.492894 0.149732 0.242701 O\n0.242701 0.492894 0.149732 O\n0.149732 0.242701 0.492894 O\n0.850268 0.757299 0.492894 O\n0.242701 0.507106 0.850268 O\n0.850268 0.242701 0.507106 O\n0.757299 0.507106 0.149732 O\n0.757299 0.492894 0.850268 O\n0.149732 0.757299 0.507106 O\n0.492894 0.850268 0.757299 O\n0.507106 0.149732 0.757299 O\n0.002516 0.154287 0.212511 O\n0.212511 0.002516 0.154287 O\n0.154287 0.212511 0.002516 O\n0.845713 0.787489 0.002516 O\n0.212511 0.997484 0.845713 O\n0.845713 0.212511 0.997484 O\n0.787489 0.997484 0.154287 O\n0.787489 0.002516 0.845713 O\n0.154287 0.787489 0.997484 O\n0.002516 0.845713 0.787489 O\n0.997484 0.154287 0.787489 O\n0.997484 0.845713 0.212511 O\n0.497484 0.345713 0.287489 O\n0.287489 0.497484 0.345713 O\n0.345713 0.287489 0.497484 O\n0.654287 0.712511 0.497484 O\n0.287489 0.502516 0.654287 O\n0.654287 0.287489 0.502516 O\n0.712511 0.502516 0.345713 O\n0.712511 0.497484 0.654287 O\n0.345713 0.712511 0.502516 O\n0.497484 0.654287 0.712511 O\n0.502516 0.345713 0.712511 O\n0.502516 0.654287 0.287489 O\n0.007106 0.350268 0.257299 O\n0.257299 0.007106 0.350268 O\n0.742701 0.007106 0.649732 O\n0.649732 0.742701 0.007106 O\n0.257299 0.992894 0.649732 O\n0.649732 0.257299 0.992894 O\n0.742701 0.992894 0.350268 O\n0.350268 0.257299 0.007106 O\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "Ce",
                "Tl",
                "Co",
                "N",
                "O"
            ],
            "chemical_system": "Ce-Co-N-O-Tl",
            "density": 4.88580059525967,
            "density_atomic": 0.07066789759737113,
            "volume": 1245.2613278716476,
            "volume_molar": 8.521748862985879,
            "formula_full": "Ce2 Tl10 Co4 N24 O48",
            "formula_reduced": "CeTl5Co2(NO2)12",
            "formula_anonymous": "AB2C5D12E24",
            "energy": -579.47360801,
            "energy_per_atom": -6.58492736375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -539.94560801,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.8962131,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.045000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1211871",
            "created_at": "2022-09-04T14:44:17.204912Z",
            "structure_string": "La12 In8 Ga12 O48\n1.0\n-6.543489 6.543489 6.543489\n6.543489 -6.543489 6.543489\n6.543489 6.543489 -6.543489\nLa In Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 La\n0.750000 0.625000 0.875000 La\n0.750000 0.125000 0.375000 La\n0.125000 0.250000 0.375000 La\n0.375000 0.750000 0.125000 La\n0.250000 0.875000 0.625000 La\n0.875000 0.750000 0.625000 La\n0.625000 0.250000 0.875000 La\n0.375000 0.125000 0.250000 La\n0.625000 0.875000 0.750000 La\n0.125000 0.375000 0.750000 La\n0.875000 0.625000 0.250000 La\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 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.475110 0.374976 0.288400 O\n0.524890 0.625024 0.711600 O\n0.586576 0.186710 0.211600 O\n0.913424 0.125024 0.600133 O\n0.288400 0.475110 0.374976 O\n0.313290 0.913424 0.288400 O\n0.413424 0.813290 0.788400 O\n0.086576 0.874976 0.399867 O\n0.711600 0.524890 0.625024 O\n0.686710 0.086576 0.711600 O\n0.024890 0.313290 0.899867 O\n0.211600 0.586576 0.186710 O\n0.125024 0.024890 0.211600 O\n0.975110 0.686710 0.100133 O\n0.788400 0.413424 0.813290 O\n0.874976 0.975110 0.788400 O\n0.600133 0.913424 0.125024 O\n0.186710 0.475110 0.600133 O\n0.399867 0.086576 0.874976 O\n0.813290 0.524890 0.399867 O\n0.899867 0.024890 0.313290 O\n0.374976 0.586576 0.899867 O\n0.100133 0.975110 0.686710 O\n0.625024 0.413424 0.100133 O\n0.374976 0.288400 0.475110 O\n0.586576 0.899867 0.374976 O\n0.625024 0.711600 0.524890 O\n0.413424 0.100133 0.625024 O\n0.125024 0.600133 0.913424 O\n0.024890 0.211600 0.125024 O\n0.874976 0.399867 0.086576 O\n0.975110 0.788400 0.874976 O\n0.313290 0.899867 0.024890 O\n0.913424 0.288400 0.313290 O\n0.686710 0.100133 0.975110 O\n0.086576 0.711600 0.686710 O\n0.186710 0.211600 0.586576 O\n0.475110 0.600133 0.186710 O\n0.813290 0.788400 0.413424 O\n0.524890 0.399867 0.813290 O\n0.288400 0.313290 0.913424 O\n0.711600 0.686710 0.086576 O\n0.211600 0.125024 0.024890 O\n0.788400 0.874976 0.975110 O\n0.899867 0.374976 0.586576 O\n0.100133 0.625024 0.413424 O\n0.600133 0.186710 0.475110 O\n0.399867 0.813290 0.524890 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "La",
                "In",
                "Ga",
                "O"
            ],
            "chemical_system": "Ga-In-La-O",
            "density": 6.208417158466545,
            "density_atomic": 0.07138416201152106,
            "volume": 1120.6967728652244,
            "volume_molar": 8.436242144340163,
            "formula_full": "La12 In8 Ga12 O48",
            "formula_reduced": "La3In2(GaO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -584.88819352,
            "energy_per_atom": -7.311102418999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -551.91219352,
            "band_gap": 3.3646000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0020036,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.283000Z",
            "spacegroup": 230
        },
        {
            "id": "mp-1206859",
            "created_at": "2022-09-04T14:44:17.207476Z",
            "structure_string": "Er2 Br2 O2\n1.0\n3.822045 0.000000 0.000000\n0.000000 3.822045 0.000000\n0.000000 0.000000 8.623453\nEr Br O\n2 2 2\ndirect\n0.000000 0.500000 0.130062 Er\n0.500000 0.000000 0.869938 Er\n0.000000 0.500000 0.674412 Br\n0.500000 0.000000 0.325588 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Er",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Er-O",
            "density": 6.937933595290674,
            "density_atomic": 0.047629767066433515,
            "volume": 125.97164272567744,
            "volume_molar": 12.643649404374326,
            "formula_full": "Er2 Br2 O2",
            "formula_reduced": "ErBrO",
            "formula_anonymous": "ABC",
            "energy": -42.43470851,
            "energy_per_atom": -7.072451418333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.99270851,
            "band_gap": 4.382000000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003742,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:27.647000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-753499",
            "created_at": "2022-09-04T14:44:17.215300Z",
            "structure_string": "Li2 Ni3 O3 F2\n1.0\n-1.476807 1.476807 10.498211\n1.476807 -1.476807 10.498211\n1.476807 1.476807 -10.498211\nLi Ni O F\n2 3 3 2\ndirect\n0.699494 0.699494 0.000000 Li\n0.300506 0.300506 0.000000 Li\n0.899849 0.899849 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.100151 0.100151 0.000000 Ni\n0.398474 0.398474 0.000000 O\n0.000000 0.000000 0.000000 O\n0.601526 0.601526 0.000000 O\n0.203192 0.203192 0.000000 F\n0.796808 0.796808 0.000000 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-Ni-O",
            "density": 5.003432719179795,
            "density_atomic": 0.10918858225005947,
            "volume": 91.58466749846048,
            "volume_molar": 5.515357591335261,
            "formula_full": "Li2 Ni3 O3 F2",
            "formula_reduced": "Li2Ni3O3F2",
            "formula_anonymous": "A2B2C3D3",
            "energy": -59.25962476,
            "energy_per_atom": -5.9259624760000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.65162476,
            "band_gap": 2.204,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9987119,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.927000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-772945",
            "created_at": "2022-09-04T14:44:17.215760Z",
            "structure_string": "Li8 Mn4 P6 O24\n1.0\n8.376641 0.000000 0.000000\n-4.144670 7.443311 0.000000\n-3.975122 -2.637267 7.911709\nLi Mn P O\n8 4 6 24\ndirect\n0.931432 0.662139 0.854370 Li\n0.194907 0.267610 0.864318 Li\n0.632491 0.941751 0.901860 Li\n0.668695 0.205320 0.408552 Li\n0.331305 0.794680 0.591448 Li\n0.367509 0.058249 0.098140 Li\n0.805093 0.732390 0.135682 Li\n0.068568 0.337861 0.145630 Li\n0.311313 0.650279 0.966007 Mn\n0.283686 0.147011 0.437233 Mn\n0.716314 0.852989 0.562767 Mn\n0.688687 0.349721 0.033993 Mn\n0.805513 0.253115 0.760650 P\n0.214514 0.951898 0.751568 P\n0.496658 0.550108 0.752553 P\n0.503342 0.449892 0.247447 P\n0.785486 0.048102 0.248432 P\n0.194487 0.746885 0.239350 P\n0.359296 0.150573 0.897718 O\n0.696413 0.564186 0.897762 O\n0.748678 0.211964 0.905416 O\n0.983257 0.467536 0.819152 O\n0.888407 0.129340 0.749422 O\n0.612241 0.202441 0.592759 O\n0.998995 0.852009 0.743732 O\n0.320301 0.838894 0.807524 O\n0.334696 0.504402 0.815072 O\n0.616880 0.605659 0.407927 O\n0.429307 0.252162 0.274031 O\n0.799729 0.025739 0.414786 O\n0.200271 0.974261 0.585214 O\n0.570693 0.747838 0.725969 O\n0.383120 0.394341 0.592073 O\n0.665304 0.495598 0.184928 O\n0.679699 0.161106 0.192476 O\n0.001005 0.147991 0.256268 O\n0.387759 0.797559 0.407241 O\n0.111593 0.870660 0.250578 O\n0.016743 0.532464 0.180848 O\n0.251322 0.788036 0.094584 O\n0.303587 0.435814 0.102238 O\n0.640704 0.849427 0.102282 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P",
            "density": 2.844822129699728,
            "density_atomic": 0.08514181752420746,
            "volume": 493.2946138724204,
            "volume_molar": 7.0730704783084875,
            "formula_full": "Li8 Mn4 P6 O24",
            "formula_reduced": "Li4Mn2(PO4)3",
            "formula_anonymous": "A2B3C4D12",
            "energy": -312.24342068000004,
            "energy_per_atom": -7.43436715904762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.08342068,
            "band_gap": 4.1215,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9981551,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:28.126000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1245498",
            "created_at": "2022-09-04T14:44:17.219098Z",
            "structure_string": "Sr8 Ir2 N8\n1.0\n6.321691 -0.352101 0.032306\n2.032315 6.021854 0.084047\n1.638825 2.663403 8.625155\nSr Ir N\n8 2 8\ndirect\n0.793714 0.566280 0.148784 Sr\n0.206286 0.433720 0.851217 Sr\n0.708859 0.164116 0.985036 Sr\n0.291141 0.835884 0.014964 Sr\n0.748902 0.432060 0.595167 Sr\n0.251098 0.567940 0.404833 Sr\n0.222636 0.971704 0.622027 Sr\n0.777364 0.028296 0.377973 Sr\n0.727007 0.827066 0.763718 Ir\n0.272993 0.172934 0.236282 Ir\n0.982132 0.688325 0.616848 N\n0.017868 0.311675 0.383152 N\n0.969703 0.847395 0.875588 N\n0.030297 0.152605 0.124412 N\n0.530891 0.629319 0.787357 N\n0.469109 0.370681 0.212643 N\n0.494498 0.892503 0.229901 N\n0.505502 0.107497 0.770099 N\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ir",
                "N"
            ],
            "chemical_system": "Ir-N-Sr",
            "density": 5.972821563357137,
            "density_atomic": 0.0540687625599602,
            "volume": 332.9094128987821,
            "volume_molar": 11.137929693363475,
            "formula_full": "Sr8 Ir2 N8",
            "formula_reduced": "Sr4IrN4",
            "formula_anonymous": "AB4C4",
            "energy": -107.4252932,
            "energy_per_atom": -5.968071844444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.5372932,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0038748,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.735000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1207711",
            "created_at": "2022-09-04T14:44:17.226937Z",
            "structure_string": "Y4 Al18 Rh6\n1.0\n3.811827 -6.531645 0.000000\n3.811827 6.531645 0.000000\n0.000000 0.000000 9.488684\nY Al Rh\n4 18 6\ndirect\n0.994910 0.669615 0.250000 Y\n0.005090 0.330385 0.750000 Y\n0.669615 0.994910 0.250000 Y\n0.330385 0.005090 0.750000 Y\n0.127036 0.127036 0.250000 Al\n0.872964 0.872964 0.750000 Al\n0.001675 0.334828 0.073417 Al\n0.998325 0.665172 0.926583 Al\n0.998325 0.665172 0.573417 Al\n0.334828 0.001675 0.426583 Al\n0.001675 0.334828 0.426583 Al\n0.665172 0.998325 0.573417 Al\n0.665172 0.998325 0.926583 Al\n0.334828 0.001675 0.073417 Al\n0.333773 0.333773 0.552148 Al\n0.666227 0.666227 0.447852 Al\n0.666227 0.666227 0.052148 Al\n0.333773 0.333773 0.947852 Al\n0.337790 0.547525 0.250000 Al\n0.662210 0.452475 0.750000 Al\n0.547525 0.337790 0.250000 Al\n0.452475 0.662210 0.750000 Al\n0.671780 0.328220 0.000000 Rh\n0.328220 0.671780 0.000000 Rh\n0.328220 0.671780 0.500000 Rh\n0.671780 0.328220 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Y",
                "Al",
                "Rh"
            ],
            "chemical_system": "Al-Rh-Y",
            "density": 5.126612833176616,
            "density_atomic": 0.059260634569335204,
            "volume": 472.4890343055621,
            "volume_molar": 10.162126686230586,
            "formula_full": "Y4 Al18 Rh6",
            "formula_reduced": "Y2(Al3Rh)3",
            "formula_anonymous": "A2B3C9",
            "energy": -160.90906194,
            "energy_per_atom": -5.746752212142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.90906194,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001322,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.924000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-753444",
            "created_at": "2022-09-04T14:44:16.963229Z",
            "structure_string": "Li12 Bi4 S12\n1.0\n12.429146 0.000000 0.000000\n0.000000 4.011505 0.000000\n0.000000 2.938325 11.814691\nLi Bi S\n12 4 12\ndirect\n0.458062 0.879233 0.619146 Li\n0.969764 0.775109 0.605079 Li\n0.219230 0.488601 0.026001 Li\n0.041938 0.879233 0.119146 Li\n0.530236 0.775109 0.105079 Li\n0.719230 0.511399 0.473999 Li\n0.280770 0.488601 0.526001 Li\n0.469764 0.224891 0.894921 Li\n0.958062 0.120767 0.880854 Li\n0.780770 0.511399 0.973999 Li\n0.030236 0.224891 0.394921 Li\n0.541938 0.120767 0.380854 Li\n0.706931 0.116514 0.750962 Bi\n0.793069 0.116514 0.250962 Bi\n0.206931 0.883486 0.749038 Bi\n0.293069 0.883486 0.249038 Bi\n0.646388 0.931602 0.569243 S\n0.593827 0.701112 0.908449 S\n0.853612 0.931602 0.069243 S\n0.876346 0.703954 0.788099 S\n0.906173 0.701112 0.408449 S\n0.623654 0.703954 0.288099 S\n0.376346 0.296046 0.711901 S\n0.093827 0.298888 0.591551 S\n0.123654 0.296046 0.211901 S\n0.146388 0.068398 0.930757 S\n0.406173 0.298888 0.091551 S\n0.353612 0.068398 0.430757 S\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Li",
                "Bi",
                "S"
            ],
            "chemical_system": "Bi-Li-S",
            "density": 3.675814294746486,
            "density_atomic": 0.047532103742727885,
            "volume": 589.0755467410555,
            "volume_molar": 12.669628074102127,
            "formula_full": "Li12 Bi4 S12",
            "formula_reduced": "Li3BiS3",
            "formula_anonymous": "AB3C3",
            "energy": -120.27759221,
            "energy_per_atom": -4.2956282932142855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -114.24159221,
            "band_gap": 1.9787,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:32.090000Z",
            "spacegroup": 14
        }
    ]
}