GET /third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=26
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_magnetic&page=27",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=25",
    "results": [
        {
            "id": "mp-569002",
            "created_at": "2022-09-04T14:43:24.431373Z",
            "structure_string": "Y6 Re2 B14\n1.0\n1.837126 -7.542380 0.000000\n1.837126 7.542380 0.000000\n0.000000 0.000000 10.080888\nY Re B\n6 2 14\ndirect\n0.165660 0.834340 0.942774 Y\n0.027498 0.972502 0.250000 Y\n0.834340 0.165660 0.057226 Y\n0.972502 0.027498 0.750000 Y\n0.165660 0.834340 0.557226 Y\n0.834340 0.165660 0.442774 Y\n0.776736 0.223264 0.750000 Re\n0.223264 0.776736 0.250000 Re\n0.449992 0.550008 0.945858 B\n0.446798 0.553202 0.115738 B\n0.620672 0.379328 0.750000 B\n0.345522 0.654478 0.660495 B\n0.379328 0.620672 0.250000 B\n0.553202 0.446798 0.615738 B\n0.654478 0.345522 0.160495 B\n0.550008 0.449992 0.445858 B\n0.654478 0.345522 0.339505 B\n0.550008 0.449992 0.054142 B\n0.553202 0.446798 0.884262 B\n0.345522 0.654478 0.839505 B\n0.446798 0.553202 0.384262 B\n0.449992 0.550008 0.554142 B\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Y",
                "Re",
                "B"
            ],
            "chemical_system": "B-Re-Y",
            "density": 6.283930703945933,
            "density_atomic": 0.07874927109494577,
            "volume": 279.367665174643,
            "volume_molar": 7.647233652155681,
            "formula_full": "Y6 Re2 B14",
            "formula_reduced": "Y3ReB7",
            "formula_anonymous": "AB3C7",
            "energy": -164.5122265,
            "energy_per_atom": -7.477828477272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.5122265,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001761,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:12.923000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1111738",
            "created_at": "2022-09-04T14:43:24.433468Z",
            "structure_string": "Na2 Li1 Tl1 Br6\n1.0\n0.000000 5.453317 5.453317\n5.453317 0.000000 5.453317\n5.453317 5.453317 0.000000\nNa Li Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.746836 0.253164 0.253164 Br\n0.253164 0.253164 0.746836 Br\n0.253164 0.746836 0.746836 Br\n0.253164 0.746836 0.253164 Br\n0.746836 0.253164 0.746836 Br\n0.746836 0.746836 0.253164 Br\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Na",
                "Li",
                "Tl",
                "Br"
            ],
            "chemical_system": "Br-Li-Na-Tl",
            "density": 3.7717591361675815,
            "density_atomic": 0.030831011466952753,
            "volume": 324.3487490093808,
            "volume_molar": 19.53273821864402,
            "formula_full": "Na2 Li1 Tl1 Br6",
            "formula_reduced": "Na2LiTlBr6",
            "formula_anonymous": "ABC2D6",
            "energy": -29.72197038,
            "energy_per_atom": -2.972197038,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.51797038,
            "band_gap": 0.5730999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001844,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.857000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-19323",
            "created_at": "2022-09-04T14:43:24.437373Z",
            "structure_string": "Sm2 V2 O8\n1.0\n-3.679088 3.679088 3.222936\n3.679088 -3.679088 3.222936\n3.679088 3.679088 -3.222936\nSm V O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.326875 0.145105 0.818230 O\n0.326875 0.508645 0.181770 O\n0.854895 0.673125 0.181770 O\n0.923125 0.241355 0.318230 O\n0.923125 0.604895 0.681770 O\n0.491355 0.673125 0.818230 O\n0.758645 0.076875 0.681770 O\n0.395105 0.076875 0.318230 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Sm",
                "V",
                "O"
            ],
            "chemical_system": "O-Sm-V",
            "density": 5.04920315950321,
            "density_atomic": 0.06876844775471853,
            "volume": 174.49863115714464,
            "volume_molar": 8.757127660463723,
            "formula_full": "Sm2 V2 O8",
            "formula_reduced": "SmVO4",
            "formula_anonymous": "ABC4",
            "energy": -105.46330305,
            "energy_per_atom": -8.788608587499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.56730305,
            "band_gap": 3.0241,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007363,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:14.588000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-756205",
            "created_at": "2022-09-04T14:43:24.443319Z",
            "structure_string": "Sc4 Bi4 O12\n1.0\n5.600617 0.000000 0.000000\n0.000000 5.909651 0.000000\n0.000000 0.000000 8.104093\nSc Bi O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.010567 0.045605 0.250000 Bi\n0.489433 0.545605 0.250000 Bi\n0.510567 0.454395 0.750000 Bi\n0.989433 0.954395 0.750000 Bi\n0.115348 0.537089 0.750000 O\n0.186475 0.806929 0.057716 O\n0.186475 0.806929 0.442284 O\n0.313525 0.306929 0.057716 O\n0.313525 0.306929 0.442284 O\n0.384652 0.037089 0.750000 O\n0.615348 0.962911 0.250000 O\n0.686475 0.693071 0.557716 O\n0.686475 0.693071 0.942284 O\n0.813525 0.193071 0.557716 O\n0.813525 0.193071 0.942284 O\n0.884652 0.462911 0.250000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Sc",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Sc",
            "density": 7.47686813446329,
            "density_atomic": 0.07456377223491567,
            "volume": 268.2267728755639,
            "volume_molar": 8.076496909285979,
            "formula_full": "Sc4 Bi4 O12",
            "formula_reduced": "ScBiO3",
            "formula_anonymous": "ABC3",
            "energy": -155.72700105,
            "energy_per_atom": -7.7863500525000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.48300105,
            "band_gap": 2.4137000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.3e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.818000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-936248",
            "created_at": "2022-09-04T14:43:21.710977Z",
            "structure_string": "Cu9 Se8\n1.0\n3.869760 0.000000 0.000000\n-1.933182 -3.395040 0.000000\n0.098821 2.130132 -26.182743\nCu Se\n9 8\ndirect\n0.272295 0.608649 0.031993 Cu\n0.725286 0.128448 0.153195 Cu\n0.370123 0.411756 0.218543 Cu\n0.751228 0.909209 0.343339 Cu\n0.125132 0.412940 0.465453 Cu\n0.499913 0.913781 0.590111 Cu\n0.874238 0.414183 0.714753 Cu\n0.248286 0.913928 0.838282 Cu\n0.596797 0.404032 0.957886 Cu\n0.938398 0.006425 0.995695 Se\n0.382863 0.511215 0.121956 Se\n0.712512 0.028064 0.250455 Se\n0.466469 0.030547 0.498195 Se\n0.091616 0.529672 0.373624 Se\n0.841222 0.531696 0.622713 Se\n0.215343 0.033103 0.746470 Se\n0.587905 0.533851 0.868210 Se\n",
            "nsites": 17,
            "nelements": 2,
            "elements": [
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-Se",
            "density": 5.8101191944405,
            "density_atomic": 0.04942024019458648,
            "volume": 343.9886154552156,
            "volume_molar": 12.185575659463646,
            "formula_full": "Cu9 Se8",
            "formula_reduced": "Cu9Se8",
            "formula_anonymous": "A8B9",
            "energy": -68.09121015,
            "energy_per_atom": -4.005365302941176,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.31521015,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014599,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.921000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1035645",
            "created_at": "2022-09-04T14:43:24.398822Z",
            "structure_string": "K1 Mg14 B1 O15\n1.0\n8.512685 0.000000 0.000000\n0.000000 8.648753 0.000000\n0.000000 0.000000 4.415111\nK Mg B O\n1 14 1 15\ndirect\n0.001565 -0.000000 0.000000 K\n0.002785 0.500000 0.000000 Mg\n0.501715 -0.000000 0.000000 Mg\n0.000885 0.251805 0.500000 Mg\n0.000885 0.748195 0.500000 Mg\n0.501983 0.252356 0.500000 Mg\n0.501983 0.747644 0.500000 Mg\n0.252733 -0.000000 0.500000 Mg\n0.267199 0.500000 0.500000 Mg\n0.750456 -0.000000 0.500000 Mg\n0.741225 0.500000 0.500000 Mg\n0.259662 0.242652 0.000000 Mg\n0.259662 0.757348 -0.000000 Mg\n0.744630 0.241399 -0.000000 Mg\n0.744630 0.758601 0.000000 Mg\n0.518559 0.500000 0.000000 B\n0.276100 -0.000000 0.000000 O\n0.727165 -0.000000 0.000000 O\n0.685379 0.500000 0.000000 O\n0.252126 0.256770 0.500000 O\n0.252126 0.743230 0.500000 O\n0.750803 0.253562 0.500000 O\n0.750803 0.746438 0.500000 O\n0.003805 -0.000000 0.500000 O\n0.995216 0.500000 0.500000 O\n0.500760 -0.000000 0.500000 O\n0.503184 0.500000 0.500000 O\n0.999269 0.279901 0.000000 O\n0.999269 0.720099 0.000000 O\n0.501720 0.253761 0.000000 O\n0.501720 0.746239 0.000000 O\n",
            "nsites": 31,
            "nelements": 4,
            "elements": [
                "K",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-K-Mg-O",
            "density": 3.219180618579519,
            "density_atomic": 0.0953674147342594,
            "volume": 325.0586176251214,
            "volume_molar": 6.314673388998381,
            "formula_full": "K1 Mg14 B1 O15",
            "formula_reduced": "KMg14BO15",
            "formula_anonymous": "ABC14D15",
            "energy": -184.70289379,
            "energy_per_atom": -5.958157864193548,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -174.39789379,
            "band_gap": 3.1186000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.857000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-12752",
            "created_at": "2022-09-04T14:43:23.873710Z",
            "structure_string": "Zr4 Al3\n1.0\n2.727899 -4.724859 0.000000\n2.727899 4.724859 0.000000\n0.000000 0.000000 5.417055\nZr Al\n4 3\ndirect\n0.000000 0.000000 0.742451 Zr\n0.000000 0.000000 0.257549 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "Zr",
                "Al"
            ],
            "chemical_system": "Al-Zr",
            "density": 5.301739040406556,
            "density_atomic": 0.05012884057120133,
            "volume": 139.64017360540055,
            "volume_molar": 12.01332544575084,
            "formula_full": "Zr4 Al3",
            "formula_reduced": "Zr4Al3",
            "formula_anonymous": "A3B4",
            "energy": -48.64926711,
            "energy_per_atom": -6.949895301428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.64926711,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004849,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.037000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1202470",
            "created_at": "2022-09-04T14:43:24.408560Z",
            "structure_string": "U2 H32 C6 N8 O22\n1.0\n5.523957 4.723860 0.000000\n5.523957 -4.723860 0.000000\n1.014414 0.000000 -12.785424\nU H C N O\n2 32 6 8 22\ndirect\n0.807007 0.192993 0.250000 U\n0.192993 0.807007 0.750000 U\n0.914260 0.738166 0.410611 H\n0.261834 0.085740 0.089389 H\n0.085740 0.261834 0.589389 H\n0.738166 0.914260 0.910611 H\n0.944021 0.721980 0.277495 H\n0.278020 0.055979 0.222505 H\n0.055979 0.278020 0.722505 H\n0.721980 0.944021 0.777495 H\n0.959923 0.523633 0.361192 H\n0.476367 0.040077 0.138808 H\n0.040077 0.476367 0.638808 H\n0.523633 0.959923 0.861192 H\n0.125602 0.663652 0.348726 H\n0.336348 0.874398 0.151274 H\n0.874398 0.336348 0.651274 H\n0.663652 0.125602 0.848726 H\n0.081160 0.648598 0.039051 H\n0.351402 0.918840 0.460949 H\n0.918840 0.351402 0.960949 H\n0.648598 0.081160 0.539051 H\n0.195205 0.427973 0.024148 H\n0.572027 0.804795 0.475852 H\n0.804795 0.572027 0.975852 H\n0.427973 0.195205 0.524148 H\n0.273768 0.566454 0.108696 H\n0.433546 0.726232 0.391304 H\n0.726232 0.433546 0.891304 H\n0.566454 0.273768 0.608696 H\n0.294579 0.610242 0.977102 H\n0.389758 0.705421 0.522898 H\n0.705421 0.389758 0.022898 H\n0.610242 0.294579 0.477102 H\n0.501059 0.498941 0.250000 C\n0.498941 0.501059 0.750000 C\n0.087113 0.164260 0.406853 C\n0.835740 0.912887 0.093147 C\n0.912887 0.835740 0.593147 C\n0.164260 0.087113 0.906853 C\n0.984346 0.661072 0.349794 N\n0.338928 0.015654 0.150206 N\n0.015654 0.338928 0.650206 N\n0.661072 0.984346 0.849794 N\n0.211859 0.563750 0.038058 N\n0.436250 0.788141 0.461942 N\n0.788141 0.436250 0.961942 N\n0.563750 0.211859 0.538058 N\n0.540892 0.390210 0.170958 O\n0.609790 0.459108 0.329042 O\n0.459108 0.609790 0.829042 O\n0.390210 0.540892 0.670958 O\n0.937081 0.290874 0.408154 O\n0.709126 0.062919 0.091846 O\n0.062919 0.709126 0.591846 O\n0.290874 0.937081 0.908154 O\n0.102210 0.050428 0.330691 O\n0.949572 0.897790 0.169309 O\n0.897790 0.949572 0.669309 O\n0.050428 0.102210 0.830691 O\n0.365815 0.634185 0.250000 O\n0.634185 0.365815 0.750000 O\n0.207512 0.150517 0.476564 O\n0.849483 0.792488 0.023436 O\n0.792488 0.849483 0.523436 O\n0.150517 0.207512 0.976564 O\n0.952604 0.341598 0.174209 O\n0.658402 0.047396 0.325791 O\n0.047396 0.658402 0.825791 O\n0.341598 0.952604 0.674209 O\n",
            "nsites": 70,
            "nelements": 5,
            "elements": [
                "U",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-U",
            "density": 2.599144254323908,
            "density_atomic": 0.10490727398834727,
            "volume": 667.2559236242794,
            "volume_molar": 5.740441564298885,
            "formula_full": "U2 H32 C6 N8 O22",
            "formula_reduced": "UH16C3N4O11",
            "formula_anonymous": "AB3C4D11E16",
            "energy": -456.97822491,
            "energy_per_atom": -6.528260355857142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -438.97622491,
            "band_gap": 2.3776,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0549643,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.743000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1223807",
            "created_at": "2022-09-04T14:43:22.564114Z",
            "structure_string": "In1 Ag1 Se2\n1.0\n7.237728 -2.181837 0.000000\n7.237728 2.181837 0.000000\n6.580006 0.000000 3.721376\nIn Ag Se\n1 1 2\ndirect\n0.507693 0.507693 0.507693 In\n0.993573 0.993573 0.993573 Ag\n0.122013 0.122013 0.122013 Se\n0.626720 0.626720 0.626720 Se\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "In",
                "Ag",
                "Se"
            ],
            "chemical_system": "Ag-In-Se",
            "density": 5.377331959918373,
            "density_atomic": 0.03403312924178956,
            "volume": 117.53253635837773,
            "volume_molar": 17.694936945749212,
            "formula_full": "In1 Ag1 Se2",
            "formula_reduced": "InAgSe2",
            "formula_anonymous": "ABC2",
            "energy": -14.91558699,
            "energy_per_atom": -3.7288967475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.97158699,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.93e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:15.940000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-698191",
            "created_at": "2022-09-04T14:43:24.452367Z",
            "structure_string": "Na2 Ca2 B10 H32 O34\n1.0\n-6.614815 0.000000 0.000000\n3.177605 8.639674 0.000000\n-0.258396 -3.146814 -13.044987\nNa Ca B H O\n2 2 10 32 34\ndirect\n0.243291 0.467574 0.502863 Na\n0.756709 0.532426 0.497137 Na\n0.875023 0.156563 0.026851 Ca\n0.124977 0.843437 0.973149 Ca\n0.395392 0.059097 0.181976 B\n0.604608 0.940903 0.818024 B\n0.469519 0.377726 0.286188 B\n0.530481 0.622274 0.713812 B\n0.020545 0.843938 0.201053 B\n0.979455 0.156062 0.798947 B\n0.455217 0.174292 0.020021 B\n0.544783 0.825708 0.979979 B\n0.394603 0.802219 0.250984 B\n0.605397 0.197781 0.749016 B\n0.820403 0.519123 0.953358 H\n0.179597 0.480877 0.046642 H\n0.995074 0.785895 0.462716 H\n0.004926 0.214105 0.537284 H\n0.204328 0.217412 0.917030 H\n0.795672 0.782588 0.082970 H\n0.571169 0.523398 0.192921 H\n0.428831 0.476602 0.807079 H\n0.416516 0.663176 0.340787 H\n0.583484 0.336824 0.659213 H\n0.809195 0.804222 0.402781 H\n0.190805 0.195778 0.597219 H\n0.662489 0.004832 0.244890 H\n0.337511 0.995168 0.755110 H\n0.025831 0.111721 0.212580 H\n0.974169 0.888279 0.787420 H\n0.257293 0.425313 0.135794 H\n0.742707 0.574687 0.864206 H\n0.131071 0.625289 0.179896 H\n0.868929 0.374711 0.820104 H\n0.973078 0.266674 0.266833 H\n0.026922 0.733326 0.733167 H\n0.996178 0.577336 0.320993 H\n0.003822 0.422664 0.679007 H\n0.045764 0.987800 0.346313 H\n0.954236 0.012200 0.653687 H\n0.529985 0.106409 0.450793 H\n0.470015 0.893591 0.549207 H\n0.439405 0.187689 0.347535 H\n0.560595 0.812311 0.652465 H\n0.452155 0.145535 0.476158 H\n0.547845 0.854465 0.523842 H\n0.433109 0.205396 0.278391 O\n0.566891 0.794604 0.721609 O\n0.515724 0.111033 0.103547 O\n0.484276 0.888967 0.896453 O\n0.501733 0.958577 0.236151 O\n0.498267 0.041423 0.763849 O\n0.173264 0.972434 0.161592 O\n0.826736 0.027566 0.838408 O\n0.488290 0.410337 0.188594 O\n0.511710 0.589663 0.811406 O\n0.171155 0.737744 0.224998 O\n0.828845 0.262256 0.775002 O\n0.625551 0.252041 0.973239 O\n0.374449 0.747959 0.026761 O\n0.942209 0.902369 0.296690 O\n0.057791 0.097631 0.703310 O\n0.237216 0.128900 0.995723 O\n0.762784 0.871100 0.004277 O\n0.864190 0.729475 0.126604 O\n0.135810 0.270525 0.873396 O\n0.474452 0.465500 0.376027 O\n0.525548 0.534500 0.623973 O\n0.500831 0.730401 0.293862 O\n0.499169 0.269599 0.706138 O\n0.917669 0.164795 0.215566 O\n0.082331 0.835205 0.784434 O\n0.130510 0.445083 0.109048 O\n0.869490 0.554917 0.890952 O\n0.021988 0.527160 0.373598 O\n0.978012 0.472840 0.626402 O\n0.150712 0.204565 0.528946 O\n0.849288 0.795435 0.471054 O\n0.813002 0.328023 0.557649 O\n0.186998 0.671977 0.442351 O\n",
            "nsites": 80,
            "nelements": 5,
            "elements": [
                "Na",
                "Ca",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-Ca-H-Na-O",
            "density": 1.805228878157446,
            "density_atomic": 0.10730779680054807,
            "volume": 745.5189872987067,
            "volume_molar": 5.61202535095683,
            "formula_full": "Na2 Ca2 B10 H32 O34",
            "formula_reduced": "NaCaB5H16O17",
            "formula_anonymous": "ABC5D16E17",
            "energy": -485.72996002,
            "energy_per_atom": -6.0716245002500004,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -462.3719600200001,
            "band_gap": 2.9061,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.7e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.586000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-974779",
            "created_at": "2022-09-04T14:43:22.566156Z",
            "structure_string": "Nd1 Th3\n1.0\n5.081647 0.000000 0.000000\n0.000000 5.081647 0.000000\n0.000000 0.000000 5.081647\nNd Th\n1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.500000 0.000000 0.000000 Th\n0.000000 0.500000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Nd",
                "Th"
            ],
            "chemical_system": "Nd-Th",
            "density": 10.634057788823153,
            "density_atomic": 0.030482214280329642,
            "volume": 131.22406276702884,
            "volume_molar": 19.75624442705307,
            "formula_full": "Nd1 Th3",
            "formula_reduced": "NdTh3",
            "formula_anonymous": "AB3",
            "energy": -26.81313394,
            "energy_per_atom": -6.703283485,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.81313394,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004172,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.238000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1079449",
            "created_at": "2022-09-04T14:43:36.993997Z",
            "structure_string": "Nd2 Si4 Ir4\n1.0\n4.190438 0.000000 0.000000\n0.000000 4.190438 0.000000\n0.000000 0.000000 9.919769\nNd Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.256087 Nd\n0.500000 0.000000 0.743913 Nd\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.870520 Si\n0.500000 0.000000 0.129480 Si\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.626452 Ir\n0.500000 0.000000 0.373548 Ir\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Nd",
                "Si",
                "Ir"
            ],
            "chemical_system": "Ir-Nd-Si",
            "density": 11.150669966714547,
            "density_atomic": 0.057408949803166846,
            "volume": 174.18886836087657,
            "volume_molar": 10.489898840943091,
            "formula_full": "Nd2 Si4 Ir4",
            "formula_reduced": "Nd(SiIr)2",
            "formula_anonymous": "AB2C2",
            "energy": -76.72284997999999,
            "energy_per_atom": -7.672284997999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -77.00684998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001987,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:24.891000Z",
            "spacegroup": 129
        }
    ]
}