GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12187
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=12188",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12186",
    "results": [
        {
            "id": "mp-1211529",
            "created_at": "2022-09-04T14:39:31.648793Z",
            "structure_string": "La10 Sb2 Pb6\n1.0\n4.961641 -8.593814 0.000000\n4.961641 8.593814 0.000000\n0.000000 0.000000 7.196401\nLa Sb Pb\n10 2 6\ndirect\n0.260515 0.000000 0.250000 La\n0.739485 0.000000 0.750000 La\n0.000000 0.260515 0.250000 La\n0.000000 0.739485 0.750000 La\n0.739485 0.739485 0.250000 La\n0.260515 0.260515 0.750000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.609631 0.000000 0.250000 Pb\n0.390369 0.000000 0.750000 Pb\n0.000000 0.609631 0.250000 Pb\n0.000000 0.390369 0.750000 Pb\n0.390369 0.390369 0.250000 Pb\n0.609631 0.609631 0.750000 Pb\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "La",
                "Sb",
                "Pb"
            ],
            "chemical_system": "La-Pb-Sb",
            "density": 7.781213251593306,
            "density_atomic": 0.02933025688749488,
            "volume": 613.7007278539862,
            "volume_molar": 20.532178709173095,
            "formula_full": "La10 Sb2 Pb6",
            "formula_reduced": "La5SbPb3",
            "formula_anonymous": "AB3C5",
            "energy": -93.06948628,
            "energy_per_atom": -5.170527015555556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.06948628,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003402,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.538000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-557229",
            "created_at": "2022-09-04T14:39:26.247423Z",
            "structure_string": "Li6 Mo12 O39\n1.0\n8.400006 0.000000 0.000000\n-0.887890 8.689313 0.000000\n-3.846610 -1.601844 10.967198\nLi Mo O\n6 12 39\ndirect\n0.186139 0.078902 0.634715 Li\n0.297771 0.516553 0.997929 Li\n0.777486 0.122842 0.627397 Li\n0.813861 0.921098 0.365285 Li\n0.222514 0.877158 0.372603 Li\n0.702229 0.483447 0.002071 Li\n0.114497 0.437566 0.635995 Mo\n0.494339 0.580986 0.364953 Mo\n0.041901 0.823887 0.035802 Mo\n0.885503 0.562434 0.364005 Mo\n0.856611 0.769470 0.633235 Mo\n0.143389 0.230530 0.366765 Mo\n0.645620 0.841827 0.029348 Mo\n0.354380 0.158173 0.970652 Mo\n0.468565 0.789824 0.639719 Mo\n0.531435 0.210176 0.360281 Mo\n0.505661 0.419014 0.635047 Mo\n0.958099 0.176113 0.964198 Mo\n0.932417 0.775735 0.788952 O\n0.856904 0.327480 0.002063 O\n0.331561 0.107757 0.386888 O\n0.877539 0.143661 0.805516 O\n0.668439 0.892243 0.613112 O\n0.397285 0.729232 0.422982 O\n0.676290 0.078861 0.404531 O\n0.331565 0.586952 0.616493 O\n0.721433 0.873628 0.187979 O\n0.184463 0.289774 0.998868 O\n0.967570 0.271685 0.613304 O\n0.724440 0.701969 0.408386 O\n0.143096 0.672520 0.997937 O\n0.122461 0.856339 0.194484 O\n0.032430 0.728315 0.386696 O\n0.149553 0.004922 0.993823 O\n0.036308 0.408472 0.416620 O\n0.275560 0.298031 0.591614 O\n0.375577 0.398471 0.400750 O\n0.803485 0.516246 0.208015 O\n0.668435 0.413048 0.383507 O\n0.196515 0.483754 0.791985 O\n0.411291 0.568223 0.209510 O\n0.020204 0.078153 0.398738 O\n0.453444 0.176881 0.201648 O\n0.503108 0.326827 0.005395 O\n0.602715 0.270768 0.577018 O\n0.500000 0.000000 0.000000 O\n0.815537 0.710226 0.001132 O\n0.850447 0.995078 0.006177 O\n0.067583 0.224265 0.211048 O\n0.278567 0.126372 0.812021 O\n0.624423 0.601529 0.599250 O\n0.588709 0.431777 0.790490 O\n0.546556 0.823119 0.798352 O\n0.496892 0.673173 0.994605 O\n0.963692 0.591528 0.583380 O\n0.323710 0.921139 0.595469 O\n0.979796 0.921847 0.601262 O\n",
            "nsites": 57,
            "nelements": 3,
            "elements": [
                "Li",
                "Mo",
                "O"
            ],
            "chemical_system": "Li-Mo-O",
            "density": 3.7689469280340098,
            "density_atomic": 0.07120559730333041,
            "volume": 800.4988674862784,
            "volume_molar": 8.45739799688238,
            "formula_full": "Li6 Mo12 O39",
            "formula_reduced": "Li2Mo4O13",
            "formula_anonymous": "A2B4C13",
            "energy": -451.14251445,
            "energy_per_atom": -7.914780955263158,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -385.92551445,
            "band_gap": 2.3953,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003673,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.522000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1024984",
            "created_at": "2022-09-04T14:39:30.925298Z",
            "structure_string": "Tb1 In1 Pt4\n1.0\n0.000000 3.829458 3.829458\n3.829458 0.000000 3.829458\n3.829458 3.829458 0.000000\nTb In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 In\n0.624539 0.624539 0.126383 Pt\n0.624539 0.126383 0.624539 Pt\n0.126383 0.624539 0.624539 Pt\n0.624539 0.624539 0.624539 Pt\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Tb",
                "In",
                "Pt"
            ],
            "chemical_system": "In-Pt-Tb",
            "density": 15.584055098121773,
            "density_atomic": 0.05342066901030778,
            "volume": 112.31607748757827,
            "volume_molar": 11.273053804021057,
            "formula_full": "Tb1 In1 Pt4",
            "formula_reduced": "TbInPt4",
            "formula_anonymous": "ABC4",
            "energy": -36.46440818,
            "energy_per_atom": -6.077401363333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.46440818,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000177,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.198000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1189643",
            "created_at": "2022-09-04T14:39:31.158993Z",
            "structure_string": "Co2 C4 O12\n1.0\n0.000000 -5.267496 0.000000\n-5.430012 -2.633748 0.000000\n-0.028830 -2.633748 -8.244530\nCo C O\n2 4 12\ndirect\n0.576072 0.250000 0.750000 Co\n0.423928 0.750000 0.250000 Co\n0.029057 0.250634 0.843428 C\n0.123119 0.249366 0.656572 C\n0.970943 0.749366 0.156572 C\n0.876881 0.750634 0.343428 C\n0.205729 0.250585 0.915031 O\n0.371344 0.249415 0.584969 O\n0.794271 0.749415 0.084969 O\n0.628656 0.750585 0.415031 O\n0.780858 0.250761 0.915310 O\n0.946929 0.249239 0.584690 O\n0.219142 0.749239 0.084690 O\n0.053071 0.750761 0.415310 O\n0.726837 0.946812 0.749549 O\n0.423198 0.553188 0.750451 O\n0.273163 0.053188 0.250451 O\n0.576802 0.446812 0.249549 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Co",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-O",
            "density": 2.520242344078052,
            "density_atomic": 0.07633111364111603,
            "volume": 235.81471750340395,
            "volume_molar": 7.889496789361856,
            "formula_full": "Co2 C4 O12",
            "formula_reduced": "Co(CO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -127.10350276,
            "energy_per_atom": -7.061305708888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.58350276,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0089587,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.552000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-654305",
            "created_at": "2022-09-04T14:39:27.235603Z",
            "structure_string": "Tl4 Fe2 C10 N12 O2\n1.0\n6.368570 6.737380 0.000000\n-6.368570 6.737380 0.000000\n0.000000 2.735573 6.290794\nTl Fe C N O\n4 2 10 12 2\ndirect\n0.031323 0.966911 0.998940 Tl\n0.966911 0.031323 0.498940 Tl\n0.749787 0.520328 0.469677 Tl\n0.520328 0.749787 0.969677 Tl\n0.552346 0.139460 0.206588 Fe\n0.139460 0.552346 0.706588 Fe\n0.617338 0.938505 0.328709 C\n0.744002 0.213595 0.201120 C\n0.375241 0.070971 0.160563 C\n0.213595 0.744002 0.701120 C\n0.070971 0.375241 0.660563 C\n0.529544 0.335904 0.023507 C\n0.651613 0.102591 0.938632 C\n0.938505 0.617338 0.828709 C\n0.335904 0.529544 0.523507 C\n0.102591 0.651613 0.438632 C\n0.037421 0.266923 0.626112 N\n0.266923 0.037421 0.126112 N\n0.705470 0.077896 0.774669 N\n0.255821 0.859581 0.706560 N\n0.162999 0.459519 0.943498 N\n0.666926 0.823415 0.403901 N\n0.859581 0.255821 0.206560 N\n0.523013 0.452800 0.900921 N\n0.452800 0.523013 0.400921 N\n0.077896 0.705470 0.274669 N\n0.459519 0.162999 0.443498 N\n0.823415 0.666926 0.903901 N\n0.396560 0.173796 0.609402 O\n0.173796 0.396560 0.109402 O\n",
            "nsites": 30,
            "nelements": 5,
            "elements": [
                "Tl",
                "Fe",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Fe-N-O-Tl",
            "density": 3.843133201860888,
            "density_atomic": 0.05557159032667866,
            "volume": 539.8441869963488,
            "volume_molar": 10.83672560853258,
            "formula_full": "Tl4 Fe2 C10 N12 O2",
            "formula_reduced": "Tl2FeC5N6O",
            "formula_anonymous": "ABC2D5E6",
            "energy": -220.98890418,
            "energy_per_atom": -7.366296805999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -210.77090418,
            "band_gap": 2.4172,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001165,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.226000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1203837",
            "created_at": "2022-09-04T14:39:31.344230Z",
            "structure_string": "Ni1 Ag4 P6 O24\n1.0\n6.617246 0.000000 0.000000\n-0.282261 8.139537 0.000000\n-2.015543 -1.047037 9.167124\nNi Ag P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.615913 0.282545 0.424555 Ag\n0.384087 0.717455 0.575446 Ag\n0.192615 0.434133 0.162219 Ag\n0.807385 0.565867 0.837781 Ag\n0.856104 0.721387 0.506473 P\n0.143896 0.278613 0.493527 P\n0.460079 0.143447 0.701780 P\n0.539921 0.856553 0.298220 P\n0.726391 0.558860 0.207609 P\n0.273609 0.441140 0.792391 P\n0.294024 0.364539 0.417303 O\n0.705976 0.635461 0.582697 O\n0.931424 0.231338 0.404157 O\n0.068576 0.768662 0.595843 O\n0.744113 0.873563 0.435665 O\n0.255887 0.126437 0.564335 O\n0.885311 0.601791 0.364577 O\n0.114689 0.398209 0.635423 O\n0.512895 0.021812 0.248155 O\n0.487105 0.978188 0.751845 O\n0.365944 0.760257 0.342805 O\n0.634056 0.239743 0.657195 O\n0.623745 0.731785 0.177578 O\n0.376255 0.268215 0.822422 O\n0.856708 0.518000 0.097577 O\n0.143292 0.482000 0.902423 O\n0.562488 0.431535 0.224618 O\n0.437512 0.568465 0.775382 O\n0.179164 0.167533 0.109768 O\n0.820836 0.832467 0.890232 O\n0.194928 0.869055 0.953589 O\n0.805072 0.130945 0.046411 O\n0.010487 0.991524 0.193703 O\n0.989513 0.008476 0.806297 O\n",
            "nsites": 35,
            "nelements": 4,
            "elements": [
                "Ni",
                "Ag",
                "P",
                "O"
            ],
            "chemical_system": "Ag-Ni-O-P",
            "density": 3.5648607416757647,
            "density_atomic": 0.07088558970439446,
            "volume": 493.75338691483324,
            "volume_molar": 8.495578276365338,
            "formula_full": "Ni1 Ag4 P6 O24",
            "formula_reduced": "NiAg4(PO4)6",
            "formula_anonymous": "AB4C6D24",
            "energy": -221.05996779,
            "energy_per_atom": -6.3159990797142855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.03096779,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.9785485,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.649000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-555309",
            "created_at": "2022-09-04T14:39:26.229082Z",
            "structure_string": "C4 S16 N8 O12 F12\n1.0\n10.983381 0.000000 0.000000\n0.000000 8.727298 0.000000\n0.000000 8.668783 8.822710\nC S N O F\n4 16 8 12 12\ndirect\n0.986298 0.790818 0.770628 C\n0.486298 0.209182 0.729372 C\n0.513702 0.790818 0.270628 C\n0.013702 0.209182 0.229372 C\n0.634171 0.068865 0.771010 S\n0.098057 0.613963 0.549212 S\n0.401943 0.613963 0.049212 S\n0.574987 0.435597 0.161150 S\n0.128513 0.214969 0.842614 S\n0.871487 0.785031 0.157386 S\n0.365829 0.931135 0.228990 S\n0.628513 0.785031 0.657386 S\n0.598057 0.386037 0.950788 S\n0.901943 0.386037 0.450788 S\n0.134171 0.931135 0.728990 S\n0.865829 0.068865 0.271010 S\n0.925013 0.435597 0.661150 S\n0.425013 0.564403 0.838850 S\n0.074987 0.564403 0.338850 S\n0.371487 0.214969 0.342614 S\n0.514251 0.231203 0.320055 N\n0.014251 0.768797 0.179945 N\n0.683196 0.565593 0.807788 N\n0.316804 0.434407 0.192212 N\n0.985749 0.231203 0.820055 N\n0.485749 0.768797 0.679945 N\n0.183196 0.434407 0.692212 N\n0.816804 0.565593 0.307788 N\n0.173272 0.843728 0.876092 O\n0.596797 0.841081 0.877489 O\n0.403203 0.158919 0.122511 O\n0.209354 0.876670 0.663177 O\n0.326728 0.843728 0.376092 O\n0.673272 0.156272 0.623908 O\n0.790646 0.123330 0.336823 O\n0.096797 0.158919 0.622511 O\n0.709354 0.123330 0.836823 O\n0.826728 0.156272 0.123908 O\n0.903203 0.841081 0.377489 O\n0.290646 0.876670 0.163177 O\n0.571094 0.878433 0.140391 F\n0.505810 0.419866 0.647401 F\n0.494190 0.580134 0.352599 F\n0.428906 0.121567 0.859609 F\n0.994190 0.419866 0.147401 F\n0.005810 0.580134 0.852599 F\n0.910111 0.805355 0.849404 F\n0.589889 0.805355 0.349404 F\n0.071094 0.121567 0.359609 F\n0.928906 0.878433 0.640391 F\n0.089889 0.194645 0.150596 F\n0.410111 0.194645 0.650596 F\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "C",
                "S",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-N-O-S",
            "density": 2.146323206143693,
            "density_atomic": 0.06148730875588363,
            "volume": 845.7029759824087,
            "volume_molar": 9.79411992791724,
            "formula_full": "C4 S16 N8 O12 F12",
            "formula_reduced": "CS4N2(OF)3",
            "formula_anonymous": "AB2C3D3E4",
            "energy": -303.59293329,
            "energy_per_atom": -5.838325640192308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -286.91693329,
            "band_gap": 1.1363,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.003943,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.146000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-560630",
            "created_at": "2022-09-04T14:39:31.652815Z",
            "structure_string": "Nd2 Tl2 Mo4 O16\n1.0\n6.411161 0.000000 0.000000\n0.000000 6.411161 0.000000\n0.000000 0.000000 9.707176\nNd Tl Mo O\n2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.750000 Mo\n0.000000 0.500000 0.250000 Mo\n0.500000 0.000000 0.750000 Mo\n0.500000 0.000000 0.250000 Mo\n0.389310 0.196213 0.360713 O\n0.389310 0.803787 0.639287 O\n0.110690 0.696213 0.860713 O\n0.610690 0.196213 0.639287 O\n0.110690 0.303787 0.139287 O\n0.803787 0.389310 0.360713 O\n0.303787 0.110690 0.860713 O\n0.196213 0.610690 0.360713 O\n0.889310 0.696213 0.139287 O\n0.696213 0.889310 0.860713 O\n0.610690 0.803787 0.360713 O\n0.803787 0.610690 0.639287 O\n0.196213 0.389310 0.639287 O\n0.889310 0.303787 0.860713 O\n0.303787 0.889310 0.139287 O\n0.696213 0.110690 0.139287 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Nd",
                "Tl",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-Nd-O-Tl",
            "density": 5.564351534536494,
            "density_atomic": 0.060151293572431194,
            "volume": 398.9939130918339,
            "volume_molar": 10.011656279259295,
            "formula_full": "Nd2 Tl2 Mo4 O16",
            "formula_reduced": "NdTl(MoO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -193.39266227,
            "energy_per_atom": -8.058027594583333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.59266227,
            "band_gap": 3.5665000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0047193,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.052000Z",
            "spacegroup": 126
        },
        {
            "id": "mp-1104994",
            "created_at": "2022-09-04T14:39:26.306516Z",
            "structure_string": "Pr1 Mn4 Al8\n1.0\n0.000000 0.000000 5.212929\n-4.463515 4.463515 2.606464\n-4.463515 -4.463515 2.606464\nPr Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.340802 0.659198 Al\n0.000000 0.659198 0.340802 Al\n0.659198 0.340802 0.340802 Al\n0.340802 0.659198 0.659198 Al\n0.500000 0.771738 0.228262 Al\n0.500000 0.228262 0.771738 Al\n0.728262 0.771738 0.771738 Al\n0.271738 0.228262 0.228262 Al\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Pr",
                "Mn",
                "Al"
            ],
            "chemical_system": "Al-Mn-Pr",
            "density": 4.608841266201498,
            "density_atomic": 0.06258605098377107,
            "volume": 207.7140160731818,
            "volume_molar": 9.62217725090464,
            "formula_full": "Pr1 Mn4 Al8",
            "formula_reduced": "Pr(MnAl2)4",
            "formula_anonymous": "AB4C8",
            "energy": -75.51371944,
            "energy_per_atom": -5.808747649230769,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.51371944,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.9882786,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.522000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-540547",
            "created_at": "2022-09-04T14:39:26.316690Z",
            "structure_string": "Sm8 Co28\n1.0\n2.508525 -4.344893 0.000000\n2.508525 4.344893 0.000000\n0.000000 0.000000 24.293865\nSm Co\n8 28\ndirect\n0.333333 0.666667 0.027853 Sm\n0.666667 0.333333 0.527853 Sm\n0.666667 0.333333 0.972147 Sm\n0.333333 0.666667 0.472147 Sm\n0.333333 0.666667 0.173046 Sm\n0.666667 0.333333 0.673046 Sm\n0.666667 0.333333 0.826954 Sm\n0.333333 0.666667 0.326954 Sm\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.168133 Co\n0.000000 0.000000 0.668133 Co\n0.000000 0.000000 0.831867 Co\n0.000000 0.000000 0.331867 Co\n0.333333 0.666667 0.831501 Co\n0.666667 0.333333 0.331501 Co\n0.666667 0.333333 0.168499 Co\n0.333333 0.666667 0.668499 Co\n0.833923 0.667845 0.250000 Co\n0.166077 0.833923 0.750000 Co\n0.667845 0.833923 0.750000 Co\n0.332155 0.166077 0.250000 Co\n0.833923 0.166077 0.250000 Co\n0.166077 0.332155 0.750000 Co\n0.834136 0.668272 0.087751 Co\n0.165864 0.834136 0.587751 Co\n0.668272 0.834136 0.587751 Co\n0.331728 0.165864 0.087751 Co\n0.834136 0.165864 0.087751 Co\n0.165864 0.331728 0.912249 Co\n0.165864 0.834136 0.912249 Co\n0.165864 0.331728 0.587751 Co\n0.668272 0.834136 0.912249 Co\n0.331728 0.165864 0.412249 Co\n0.834136 0.668272 0.412249 Co\n0.834136 0.165864 0.412249 Co\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Sm",
                "Co"
            ],
            "chemical_system": "Co-Sm",
            "density": 8.94598530408885,
            "density_atomic": 0.06797956356031001,
            "volume": 529.5709197671086,
            "volume_molar": 8.858751725667206,
            "formula_full": "Sm8 Co28",
            "formula_reduced": "Sm2Co7",
            "formula_anonymous": "A2B7",
            "energy": -239.83441465,
            "energy_per_atom": -6.662067073611111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.83441465,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 34.7964771,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.508000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-558725",
            "created_at": "2022-09-04T14:39:27.247283Z",
            "structure_string": "Ba10 Ru4 Br4 O18\n1.0\n2.968308 -5.141260 0.000000\n2.968308 5.141260 0.000000\n0.000000 0.000000 25.928248\nBa Ru Br O\n10 4 4 18\ndirect\n0.333333 0.666667 0.913706 Ba\n0.666667 0.333333 0.413706 Ba\n0.666667 0.333333 0.086294 Ba\n0.333333 0.666667 0.173507 Ba\n0.666667 0.333333 0.673507 Ba\n0.333333 0.666667 0.326493 Ba\n0.666667 0.333333 0.826493 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.586294 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.805119 Ru\n0.000000 0.000000 0.305119 Ru\n0.000000 0.000000 0.694881 Ru\n0.000000 0.000000 0.194881 Ru\n0.333333 0.666667 0.454019 Br\n0.333333 0.666667 0.045981 Br\n0.666667 0.333333 0.545981 Br\n0.666667 0.333333 0.954019 Br\n0.159846 0.840154 0.657946 O\n0.680309 0.840154 0.842054 O\n0.159846 0.319691 0.657946 O\n0.849059 0.150941 0.750000 O\n0.301882 0.150941 0.750000 O\n0.150941 0.301882 0.250000 O\n0.150941 0.849059 0.250000 O\n0.698118 0.849059 0.250000 O\n0.840154 0.159846 0.342054 O\n0.319691 0.159846 0.157946 O\n0.849059 0.698118 0.750000 O\n0.840154 0.680309 0.157946 O\n0.319691 0.159846 0.342054 O\n0.840154 0.159846 0.157946 O\n0.159846 0.319691 0.842054 O\n0.840154 0.680309 0.342054 O\n0.680309 0.840154 0.657946 O\n0.159846 0.840154 0.842054 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ru",
                "Br",
                "O"
            ],
            "chemical_system": "Ba-Br-O-Ru",
            "density": 5.004769074426473,
            "density_atomic": 0.04549050973809337,
            "volume": 791.3738537392977,
            "volume_molar": 13.238235391671395,
            "formula_full": "Ba10 Ru4 Br4 O18",
            "formula_reduced": "Ba5Ru2Br2O9",
            "formula_anonymous": "A2B2C5D9",
            "energy": -240.37784935,
            "energy_per_atom": -6.677162481944444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -225.87584935,
            "band_gap": 0.4718,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0063974,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.182000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-555918",
            "created_at": "2022-09-04T14:39:30.418524Z",
            "structure_string": "Hg8 Se4 O12\n1.0\n5.678195 -8.535446 0.000000\n5.678195 8.535446 0.000000\n0.000000 0.000000 5.267545\nHg Se O\n8 4 12\ndirect\n0.129770 0.640411 0.543343 Hg\n0.870230 0.359589 0.043343 Hg\n0.966722 0.803274 0.025415 Hg\n0.359589 0.870230 0.543343 Hg\n0.196726 0.033278 0.025415 Hg\n0.803274 0.966722 0.525415 Hg\n0.033278 0.196726 0.525415 Hg\n0.640411 0.129770 0.043343 Hg\n0.427935 0.214531 0.587498 Se\n0.572065 0.785469 0.087498 Se\n0.785469 0.572065 0.587498 Se\n0.214531 0.427935 0.087498 Se\n0.902831 0.489152 0.516444 O\n0.411372 0.197928 0.917279 O\n0.510848 0.097169 0.516444 O\n0.741519 0.879678 0.991521 O\n0.489152 0.902831 0.016444 O\n0.097169 0.510848 0.016444 O\n0.879678 0.741519 0.491521 O\n0.120322 0.258481 0.991521 O\n0.588628 0.802072 0.417279 O\n0.197928 0.411372 0.417279 O\n0.802072 0.588628 0.917279 O\n0.258481 0.120322 0.491521 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Hg",
                "Se",
                "O"
            ],
            "chemical_system": "Hg-O-Se",
            "density": 6.870398020335731,
            "density_atomic": 0.04700417879636647,
            "volume": 510.59290077109597,
            "volume_molar": 12.811926331251051,
            "formula_full": "Hg8 Se4 O12",
            "formula_reduced": "Hg2SeO3",
            "formula_anonymous": "AB2C3",
            "energy": -97.90206734999998,
            "energy_per_atom": -4.0792528062499995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.65806735,
            "band_gap": 2.3109,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011222,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.725000Z",
            "spacegroup": 36
        }
    ]
}