GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12174
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&page=12175",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12173",
    "results": [
        {
            "id": "mp-1185339",
            "created_at": "2022-09-04T14:40:16.540459Z",
            "structure_string": "Li1 Eu2 Ir1\n1.0\n0.000000 3.607625 3.607625\n3.607625 0.000000 3.607625\n3.607625 3.607625 0.000000\nLi Eu Ir\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Ir\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Eu",
                "Ir"
            ],
            "chemical_system": "Eu-Ir-Li",
            "density": 8.896049077938198,
            "density_atomic": 0.04259570711466891,
            "volume": 93.90617672414454,
            "volume_molar": 14.137905361655852,
            "formula_full": "Li1 Eu2 Ir1",
            "formula_reduced": "LiEu2Ir",
            "formula_anonymous": "ABC2",
            "energy": -32.34438882,
            "energy_per_atom": -8.086097205,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.34438882,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9929252,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.285000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-777802",
            "created_at": "2022-09-04T14:40:16.737409Z",
            "structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.229535 0.000000 0.000000\n0.014474 9.055012 0.000000\n0.111525 0.221932 10.389085\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.152609 0.174294 0.667402 Li\n0.183551 0.161891 0.166860 Li\n0.319433 0.330099 0.415316 Li\n0.336204 0.322633 0.914256 Li\n0.652947 0.673886 0.668378 Li\n0.683644 0.662978 0.165790 Li\n0.821629 0.832276 0.416229 Li\n0.835373 0.824553 0.916133 Li\n0.328038 0.664826 0.384471 Mn\n0.180801 0.497595 0.132261 Fe\n0.158351 0.843115 0.632390 Fe\n0.339838 0.995602 0.884900 Fe\n0.660616 0.340625 0.633219 Fe\n0.680663 0.000366 0.133295 Fe\n0.824355 0.168433 0.384037 Fe\n0.838544 0.497118 0.884560 Fe\n0.169130 0.831939 0.125287 B\n0.163248 0.501384 0.627879 B\n0.333723 0.999336 0.376790 B\n0.327655 0.664864 0.875749 B\n0.670078 0.332031 0.124548 B\n0.662869 0.002165 0.626708 B\n0.836200 0.496439 0.374293 B\n0.828782 0.165556 0.875133 B\n0.096012 0.480351 0.343707 O\n0.089643 0.171466 0.861574 O\n0.177948 0.789992 0.847685 O\n0.193241 0.876396 0.419755 O\n0.214194 0.134000 0.360969 O\n0.211755 0.532328 0.915676 O\n0.279340 0.364690 0.614228 O\n0.290839 0.965973 0.096676 O\n0.303248 0.629843 0.599010 O\n0.311205 0.708436 0.164104 O\n0.406701 0.319739 0.111959 O\n0.408264 0.013028 0.665482 O\n0.595316 0.984590 0.347018 O\n0.590547 0.671765 0.862357 O\n0.677743 0.289933 0.845791 O\n0.694214 0.373822 0.416243 O\n0.721406 0.633672 0.361881 O\n0.711080 0.033520 0.916837 O\n0.788718 0.467133 0.096020 O\n0.777050 0.864059 0.615462 O\n0.806040 0.128859 0.596335 O\n0.813772 0.209591 0.163883 O\n0.905547 0.821340 0.113570 O\n0.907292 0.510865 0.665494 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Li",
                "Mn",
                "Fe",
                "B",
                "O"
            ],
            "chemical_system": "B-Fe-Li-Mn-O",
            "density": 3.2803562303725,
            "density_atomic": 0.0975689954659325,
            "volume": 491.95955918967957,
            "volume_molar": 6.172186903474587,
            "formula_full": "Li8 Mn1 Fe7 B8 O24",
            "formula_reduced": "Li8MnFe7(BO3)8",
            "formula_anonymous": "AB7C8D8E24",
            "energy": -369.21733679,
            "energy_per_atom": -7.692027849791667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -335.26933679,
            "band_gap": 2.6801000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 32.9942947,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.489000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1058798",
            "created_at": "2022-09-04T14:40:16.747240Z",
            "structure_string": "Li1 Be1\n1.0\n2.811153 0.000000 0.000000\n0.000000 2.811153 0.000000\n0.000000 0.000000 2.811153\nLi Be\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Li",
                "Be"
            ],
            "chemical_system": "Be-Li",
            "density": 1.1924576600109447,
            "density_atomic": 0.09002778105844694,
            "volume": 22.21536481835068,
            "volume_molar": 6.689202698542981,
            "formula_full": "Li1 Be1",
            "formula_reduced": "LiBe",
            "formula_anonymous": "AB",
            "energy": -4.91636887,
            "energy_per_atom": -2.458184435,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -4.91636887,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014896,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.534000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-9381",
            "created_at": "2022-09-04T14:40:16.749807Z",
            "structure_string": "Zr6 Fe1 Te2\n1.0\n3.923958 -6.796495 0.000000\n3.923958 6.796495 0.000000\n0.000000 0.000000 3.603935\nZr Fe Te\n6 1 2\ndirect\n0.760083 0.760083 0.500000 Zr\n0.000000 0.597513 0.000000 Zr\n0.239917 0.000000 0.500000 Zr\n0.000000 0.239917 0.500000 Zr\n0.597513 0.000000 0.000000 Zr\n0.402487 0.402487 0.000000 Zr\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.500000 Te\n0.333333 0.666667 0.500000 Te\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Zr",
                "Fe",
                "Te"
            ],
            "chemical_system": "Fe-Te-Zr",
            "density": 7.415098832556212,
            "density_atomic": 0.04681943971900527,
            "volume": 192.22784497240914,
            "volume_molar": 12.862479337947846,
            "formula_full": "Zr6 Fe1 Te2",
            "formula_reduced": "Zr6FeTe2",
            "formula_anonymous": "AB2C6",
            "energy": -71.64641053999999,
            "energy_per_atom": -7.960712282222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.80241054,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0042667,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:56.609000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-768411",
            "created_at": "2022-09-04T14:40:16.749968Z",
            "structure_string": "Dy8 Si4 O20\n1.0\n3.677949 0.000000 0.000000\n0.000000 10.191436 0.000000\n0.000000 0.000000 10.818299\nDy Si O\n8 4 20\ndirect\n0.250000 0.101058 0.282934 Dy\n0.250000 0.139516 0.945797 Dy\n0.750000 0.360484 0.445797 Dy\n0.750000 0.398942 0.782934 Dy\n0.250000 0.601058 0.217066 Dy\n0.250000 0.639516 0.554203 Dy\n0.750000 0.860484 0.054203 Dy\n0.750000 0.898942 0.717066 Dy\n0.250000 0.181251 0.624818 Si\n0.750000 0.318750 0.124818 Si\n0.250000 0.681250 0.875182 Si\n0.750000 0.818750 0.375182 Si\n0.750000 0.009955 0.895523 O\n0.250000 0.023370 0.655737 O\n0.250000 0.220758 0.471790 O\n0.750000 0.224314 0.621749 O\n0.750000 0.234929 0.262781 O\n0.250000 0.265071 0.762781 O\n0.250000 0.275686 0.121749 O\n0.750000 0.279242 0.971790 O\n0.750000 0.476630 0.155737 O\n0.250000 0.490045 0.395523 O\n0.750000 0.509955 0.604477 O\n0.250000 0.523370 0.844263 O\n0.250000 0.720758 0.028210 O\n0.750000 0.724314 0.878251 O\n0.750000 0.734929 0.237219 O\n0.250000 0.765071 0.737219 O\n0.250000 0.775686 0.378251 O\n0.750000 0.779242 0.528210 O\n0.750000 0.976630 0.344263 O\n0.250000 0.990045 0.104477 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Dy",
                "Si",
                "O"
            ],
            "chemical_system": "Dy-O-Si",
            "density": 7.093811745808069,
            "density_atomic": 0.07891324701036985,
            "volume": 405.5085959876285,
            "volume_molar": 7.631343263835844,
            "formula_full": "Dy8 Si4 O20",
            "formula_reduced": "Dy2SiO5",
            "formula_anonymous": "AB2C5",
            "energy": -277.06868288,
            "energy_per_atom": -8.65839634,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -263.32868288,
            "band_gap": 4.163,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009431,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.623000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-865340",
            "created_at": "2022-09-04T14:40:16.753360Z",
            "structure_string": "Tm2 Hg1 Os1\n1.0\n0.000000 3.502481 3.502481\n3.502481 0.000000 3.502481\n3.502481 3.502481 0.000000\nTm Hg Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Os\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Tm",
                "Hg",
                "Os"
            ],
            "chemical_system": "Hg-Os-Tm",
            "density": 14.081003474577265,
            "density_atomic": 0.04654817212287121,
            "volume": 85.9324827931239,
            "volume_molar": 12.937437680911751,
            "formula_full": "Tm2 Hg1 Os1",
            "formula_reduced": "Tm2HgOs",
            "formula_anonymous": "ABC2",
            "energy": -21.73078851,
            "energy_per_atom": -5.4326971275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.73078851,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003918,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.558000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-634755",
            "created_at": "2022-09-04T14:40:16.761211Z",
            "structure_string": "C1 S1 O1\n1.0\n3.627861 2.600716 0.000000\n-3.627861 2.600716 0.000000\n0.000000 0.930990 4.141623\nC S O\n1 1 1\ndirect\n0.580387 0.580387 0.751655 C\n0.311682 0.311682 0.001495 S\n0.783742 0.783742 0.563571 O\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "C",
                "S",
                "O"
            ],
            "chemical_system": "C-O-S",
            "density": 1.2764372569537012,
            "density_atomic": 0.03838637722786929,
            "volume": 78.15272543671922,
            "volume_molar": 15.688223778585186,
            "formula_full": "C1 S1 O1",
            "formula_reduced": "CSO",
            "formula_anonymous": "ABC",
            "energy": -21.08325909,
            "energy_per_atom": -7.0277530299999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.89325909,
            "band_gap": 4.4961,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001598,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.984000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1247183",
            "created_at": "2022-09-04T14:40:16.493801Z",
            "structure_string": "Ba12 Ir8 N16\n1.0\n6.685384 0.000000 0.000000\n0.000000 10.119539 0.000000\n0.000000 0.000000 10.336378\nBa Ir N\n12 8 16\ndirect\n0.608718 0.161085 0.419208 Ba\n0.891282 0.838915 0.419208 Ba\n0.608718 0.338915 0.080792 Ba\n0.891282 0.661085 0.080792 Ba\n0.391282 0.838915 0.580792 Ba\n0.108718 0.161085 0.580792 Ba\n0.391282 0.661085 0.919208 Ba\n0.108718 0.338915 0.919208 Ba\n0.750000 0.500000 0.400054 Ba\n0.750000 0.000000 0.099946 Ba\n0.250000 0.500000 0.599946 Ba\n0.250000 0.000000 0.900054 Ba\n0.750000 0.500000 0.723812 Ir\n0.750000 0.000000 0.776188 Ir\n0.250000 0.500000 0.276188 Ir\n0.250000 0.000000 0.223812 Ir\n0.588132 0.250000 0.750000 Ir\n0.911868 0.750000 0.750000 Ir\n0.411868 0.750000 0.250000 Ir\n0.088132 0.250000 0.250000 Ir\n0.898678 0.372459 0.626358 N\n0.601322 0.627541 0.626358 N\n0.898678 0.127541 0.873642 N\n0.601322 0.872459 0.873642 N\n0.101322 0.627541 0.373642 N\n0.398678 0.372459 0.373642 N\n0.101322 0.872459 0.126358 N\n0.398678 0.127541 0.126358 N\n0.514346 0.418523 0.830803 N\n0.985654 0.581477 0.830803 N\n0.514346 0.081477 0.669197 N\n0.985654 0.918523 0.669197 N\n0.485654 0.581477 0.169197 N\n0.014346 0.418523 0.169197 N\n0.485654 0.918523 0.330803 N\n0.014346 0.081477 0.330803 N\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ir",
                "N"
            ],
            "chemical_system": "Ba-Ir-N",
            "density": 8.096892197556178,
            "density_atomic": 0.05148100679034239,
            "volume": 699.2870233989565,
            "volume_molar": 11.697791351527583,
            "formula_full": "Ba12 Ir8 N16",
            "formula_reduced": "Ba3(IrN2)2",
            "formula_anonymous": "A2B3C4",
            "energy": -236.16551013,
            "energy_per_atom": -6.560153059166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -230.38951013,
            "band_gap": 0.1223,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0286936,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.765000Z",
            "spacegroup": 52
        },
        {
            "id": "mp-865066",
            "created_at": "2022-09-04T14:40:16.497683Z",
            "structure_string": "Hf1 In1 Rh2\n1.0\n0.000000 3.247709 3.247709\n3.247709 0.000000 3.247709\n3.247709 3.247709 0.000000\nHf In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Hf",
                "In",
                "Rh"
            ],
            "chemical_system": "Hf-In-Rh",
            "density": 12.09739546024419,
            "density_atomic": 0.05838464840340814,
            "volume": 68.51116020023004,
            "volume_molar": 10.314596258917378,
            "formula_full": "Hf1 In1 Rh2",
            "formula_reduced": "HfInRh2",
            "formula_anonymous": "ABC2",
            "energy": -30.49683355,
            "energy_per_atom": -7.6242083875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.49683355,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0739039,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.966000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1211639",
            "created_at": "2022-09-04T14:40:16.499691Z",
            "structure_string": "Li4 Ca44 Sb36\n1.0\n11.961360 0.000000 0.000000\n0.000000 11.961360 0.000000\n0.000000 0.000000 17.297400\nLi Ca Sb\n4 44 36\ndirect\n0.096540 0.096540 0.000000 Li\n0.903460 0.903460 0.000000 Li\n0.403460 0.596540 0.500000 Li\n0.596540 0.403460 0.500000 Li\n0.292834 0.292834 0.000000 Ca\n0.707166 0.707166 0.000000 Ca\n0.207166 0.792834 0.500000 Ca\n0.792834 0.207166 0.500000 Ca\n0.174918 0.825082 0.000000 Ca\n0.825082 0.174918 0.000000 Ca\n0.674918 0.674918 0.500000 Ca\n0.325082 0.325082 0.500000 Ca\n0.014705 0.249657 0.186573 Ca\n0.985295 0.750343 0.813427 Ca\n0.985295 0.750343 0.186573 Ca\n0.250343 0.514705 0.686573 Ca\n0.485295 0.749657 0.313427 Ca\n0.014705 0.249657 0.813427 Ca\n0.749657 0.485295 0.313427 Ca\n0.514705 0.250343 0.686573 Ca\n0.749657 0.485295 0.686573 Ca\n0.514705 0.250343 0.313427 Ca\n0.250343 0.514705 0.313427 Ca\n0.485295 0.749657 0.686573 Ca\n0.249657 0.014705 0.813427 Ca\n0.750343 0.985295 0.186573 Ca\n0.750343 0.985295 0.813427 Ca\n0.249657 0.014705 0.186573 Ca\n0.000000 0.000000 0.343049 Ca\n0.000000 0.000000 0.656951 Ca\n0.500000 0.500000 0.843049 Ca\n0.500000 0.500000 0.156951 Ca\n0.019307 0.342859 0.395775 Ca\n0.980693 0.657141 0.604225 Ca\n0.980693 0.657141 0.395775 Ca\n0.157141 0.519307 0.895775 Ca\n0.480693 0.842859 0.104225 Ca\n0.019307 0.342859 0.604225 Ca\n0.842859 0.480693 0.104225 Ca\n0.519307 0.157141 0.895775 Ca\n0.842859 0.480693 0.895775 Ca\n0.519307 0.157141 0.104225 Ca\n0.157141 0.519307 0.104225 Ca\n0.480693 0.842859 0.895775 Ca\n0.342859 0.019307 0.604225 Ca\n0.657141 0.980693 0.395775 Ca\n0.657141 0.980693 0.604225 Ca\n0.342859 0.019307 0.395775 Ca\n0.032000 0.333261 0.000000 Sb\n0.968000 0.666739 0.000000 Sb\n0.166739 0.532000 0.500000 Sb\n0.468000 0.833261 0.500000 Sb\n0.833261 0.468000 0.500000 Sb\n0.532000 0.166739 0.500000 Sb\n0.333261 0.032000 0.000000 Sb\n0.666739 0.968000 0.000000 Sb\n0.314694 0.314694 0.176944 Sb\n0.685306 0.685306 0.823056 Sb\n0.685306 0.685306 0.176944 Sb\n0.185306 0.814694 0.676944 Sb\n0.185306 0.814694 0.323056 Sb\n0.314694 0.314694 0.823056 Sb\n0.814694 0.185306 0.323056 Sb\n0.814694 0.185306 0.676944 Sb\n0.223079 0.223079 0.321772 Sb\n0.776921 0.776921 0.678228 Sb\n0.776921 0.776921 0.321772 Sb\n0.276921 0.723079 0.821772 Sb\n0.276921 0.723079 0.178228 Sb\n0.223079 0.223079 0.678228 Sb\n0.723079 0.276921 0.178228 Sb\n0.723079 0.276921 0.821772 Sb\n0.000000 0.500000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.500000 0.000000 0.250000 Sb\n0.500000 0.000000 0.750000 Sb\n0.000000 0.000000 0.133523 Sb\n0.000000 0.000000 0.866477 Sb\n0.500000 0.500000 0.633523 Sb\n0.500000 0.500000 0.366477 Sb\n0.375472 0.624528 0.000000 Sb\n0.624528 0.375472 0.000000 Sb\n0.875472 0.875472 0.500000 Sb\n0.124528 0.124528 0.500000 Sb\n",
            "nsites": 84,
            "nelements": 3,
            "elements": [
                "Li",
                "Ca",
                "Sb"
            ],
            "chemical_system": "Ca-Li-Sb",
            "density": 4.142980409842396,
            "density_atomic": 0.03394199260675095,
            "volume": 2474.810509012151,
            "volume_molar": 17.742449094760026,
            "formula_full": "Li4 Ca44 Sb36",
            "formula_reduced": "LiCa11Sb9",
            "formula_anonymous": "AB9C11",
            "energy": -335.9271109,
            "energy_per_atom": -3.9991322726190477,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -329.0151109,
            "band_gap": 0.8026999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1341687,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:56.136000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1029730",
            "created_at": "2022-09-04T14:40:16.499070Z",
            "structure_string": "Ca8 Hf2 N8\n1.0\n6.130075 0.000000 0.000000\n-2.250361 -5.706974 0.000000\n-3.057839 0.275618 -8.784770\nCa Hf N\n8 2 8\ndirect\n0.812109 0.270352 0.193050 Ca\n0.187891 0.729648 0.806950 Ca\n0.236518 0.243554 0.993032 Ca\n0.763482 0.756446 0.006968 Ca\n0.049541 0.262906 0.574060 Ca\n0.950459 0.737094 0.425940 Ca\n0.539816 0.753225 0.596203 Ca\n0.460184 0.246775 0.403797 Ca\n0.606275 0.280460 0.763743 Hf\n0.393725 0.719540 0.236257 Hf\n0.315335 0.015578 0.616413 N\n0.684665 0.984422 0.383587 N\n0.807657 0.155476 0.953360 N\n0.192343 0.844524 0.046640 N\n0.425815 0.487688 0.801702 N\n0.574185 0.512312 0.198298 N\n0.197697 0.514926 0.378245 N\n0.802303 0.485074 0.621755 N\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ca",
                "Hf",
                "N"
            ],
            "chemical_system": "Ca-Hf-N",
            "density": 4.266638418321677,
            "density_atomic": 0.0585693531536521,
            "volume": 307.3279630181063,
            "volume_molar": 10.28206807099506,
            "formula_full": "Ca8 Hf2 N8",
            "formula_reduced": "Ca4HfN4",
            "formula_anonymous": "AB4C4",
            "energy": -126.49635412,
            "energy_per_atom": -7.027575228888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.60835412,
            "band_gap": 1.2298000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002025,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.865000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1235123",
            "created_at": "2022-09-04T14:40:16.519293Z",
            "structure_string": "Cs1 Li1 Ta1 P2 O8\n1.0\n5.342653 -0.120469 0.403434\n2.420274 4.517664 0.197110\n0.257565 -0.194027 8.244298\nCs Li Ta P O\n1 1 1 2 8\ndirect\n0.040495 0.982194 0.529083 Cs\n0.519948 0.192391 0.381014 Li\n0.974468 0.004621 0.997034 Ta\n0.593451 0.676322 0.188873 P\n0.365635 0.348492 0.794266 P\n0.765253 0.762764 0.054936 O\n0.218760 0.684977 0.827850 O\n0.383916 0.296427 0.610468 O\n0.276745 0.809593 0.153341 O\n0.712441 0.332027 0.188225 O\n0.199133 0.213656 0.899201 O\n0.605607 0.787172 0.355852 O\n0.669148 0.221864 0.848427 O\n",
            "nsites": 13,
            "nelements": 5,
            "elements": [
                "Cs",
                "Li",
                "Ta",
                "P",
                "O"
            ],
            "chemical_system": "Cs-Li-O-P-Ta",
            "density": 4.2208662521226925,
            "density_atomic": 0.06469913537491737,
            "volume": 200.93004218167425,
            "volume_molar": 9.307915361006,
            "formula_full": "Cs1 Li1 Ta1 P2 O8",
            "formula_reduced": "CsLiTa(PO4)2",
            "formula_anonymous": "ABCD2E8",
            "energy": -100.60334476,
            "energy_per_atom": -7.738718827692308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -95.10734476,
            "band_gap": 0.0956000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0075904,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.430000Z",
            "spacegroup": 1
        }
    ]
}