GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=11482
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=-energy_above_hull&page=11483",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=11481",
    "results": [
        {
            "id": "mp-583853",
            "created_at": "2022-09-04T14:47:00.583536Z",
            "structure_string": "Li4 Cr4 P4 O16\n1.0\n5.203059 -0.000027 0.108291\n-0.000044 9.710610 -0.000246\n0.075574 -0.000179 7.065575\nLi Cr P O\n4 4 4 16\ndirect\n0.202783 0.179640 0.525687 Li\n0.797208 0.820364 0.474336 Li\n0.702813 0.320370 0.025662 Li\n0.297220 0.679638 0.974312 Li\n0.258345 0.613014 0.477712 Cr\n0.241674 0.113012 0.022295 Cr\n0.758424 0.886986 0.977654 Cr\n0.741431 0.386988 0.522336 Cr\n0.190001 0.405601 0.232796 P\n0.310001 0.905602 0.267205 P\n0.690027 0.094395 0.732781 P\n0.809976 0.594392 0.767214 P\n0.330351 0.313170 0.085645 O\n0.830321 0.186832 0.585607 O\n0.169668 0.813171 0.414361 O\n0.669697 0.686851 0.914391 O\n0.741990 0.939813 0.691544 O\n0.758013 0.439803 0.808446 O\n0.241985 0.560172 0.191528 O\n0.258037 0.060170 0.308482 O\n0.793771 0.112597 0.941131 O\n0.206289 0.887417 0.058899 O\n0.293735 0.387409 0.441105 O\n0.706226 0.612586 0.558860 O\n0.101405 0.630085 0.755605 O\n0.398612 0.130091 0.744391 O\n0.601408 0.869919 0.255614 O\n0.898590 0.369911 0.244401 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "P",
                "O"
            ],
            "chemical_system": "Cr-Li-O-P",
            "density": 2.8642802339278286,
            "density_atomic": 0.0784516261720036,
            "volume": 356.90783437185314,
            "volume_molar": 7.676247203335948,
            "formula_full": "Li4 Cr4 P4 O16",
            "formula_reduced": "LiCrPO4",
            "formula_anonymous": "ABCD4",
            "energy": -218.4209721,
            "energy_per_atom": -7.800749003571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -199.4329721,
            "band_gap": 2.3892999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:44.898000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1025374",
            "created_at": "2022-09-04T14:47:00.587518Z",
            "structure_string": "Re1 F6\n1.0\n-3.222159 3.222159 3.222159\n3.222159 -3.222159 3.222159\n3.222159 3.222159 -3.222159\nRe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.000000 0.289512 0.289512 F\n0.000000 0.710488 0.710488 F\n0.289512 0.000000 0.289512 F\n0.710488 0.000000 0.710488 F\n0.289512 0.289512 0.000000 F\n0.710488 0.710488 0.000000 F\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "Re",
                "F"
            ],
            "chemical_system": "F-Re",
            "density": 3.7252477301955085,
            "density_atomic": 0.05231149683182349,
            "volume": 133.81379665935268,
            "volume_molar": 11.51207884446628,
            "formula_full": "Re1 F6",
            "formula_reduced": "ReF6",
            "formula_anonymous": "AB6",
            "energy": -41.25994554,
            "energy_per_atom": -5.8942779342857134,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.48794554,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0001032,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:50.566000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1101558",
            "created_at": "2022-09-04T14:47:00.617933Z",
            "structure_string": "Fe12 P16 O60\n1.0\n6.427946 0.000000 0.000000\n0.000000 11.000145 0.000000\n0.000000 0.000000 17.592032\nFe P O\n12 16 60\ndirect\n0.077573 0.508371 0.132351 Fe\n0.092801 0.982414 0.141715 Fe\n0.816147 0.259128 0.247952 Fe\n0.316147 0.759128 0.252048 Fe\n0.592801 0.482414 0.358285 Fe\n0.577573 0.008371 0.367649 Fe\n0.077573 0.991629 0.632351 Fe\n0.092801 0.517586 0.641715 Fe\n0.816147 0.240872 0.747952 Fe\n0.316147 0.740872 0.752048 Fe\n0.592801 0.017586 0.858285 Fe\n0.577573 0.491629 0.867649 Fe\n0.175980 0.766215 0.064211 P\n0.954941 0.243879 0.077204 P\n0.575677 0.523722 0.186964 P\n0.584804 0.001443 0.204986 P\n0.084804 0.501443 0.295014 P\n0.075677 0.023722 0.313036 P\n0.454941 0.743879 0.422796 P\n0.675980 0.266215 0.435789 P\n0.175980 0.733785 0.564211 P\n0.954941 0.256121 0.577204 P\n0.575677 0.976278 0.686964 P\n0.584804 0.498557 0.704986 P\n0.084804 0.998557 0.795014 P\n0.075677 0.476278 0.813036 P\n0.454941 0.756121 0.922796 P\n0.675980 0.233785 0.935789 P\n0.360230 0.780989 0.004866 O\n0.032720 0.876254 0.052543 O\n0.082955 0.640397 0.056650 O\n0.071931 0.364013 0.070285 O\n0.098440 0.136144 0.089852 O\n0.386703 0.497394 0.136691 O\n0.770962 0.533674 0.137666 O\n0.781688 0.249539 0.137460 O\n0.275315 0.788854 0.143036 O\n0.402084 0.021582 0.151423 O\n0.783725 0.978102 0.159885 O\n0.039886 0.396376 0.236258 O\n0.608264 0.417133 0.247177 O\n0.111584 0.612535 0.238417 O\n0.543537 0.638410 0.237106 O\n0.043537 0.138410 0.262894 O\n0.611584 0.112535 0.261583 O\n0.108264 0.917133 0.252823 O\n0.539886 0.896376 0.263742 O\n0.283725 0.478102 0.340115 O\n0.902084 0.521582 0.348577 O\n0.775315 0.288854 0.356964 O\n0.281688 0.749539 0.362540 O\n0.270962 0.033674 0.362334 O\n0.886703 0.997394 0.363309 O\n0.598440 0.636144 0.410148 O\n0.571931 0.864013 0.429715 O\n0.582955 0.140397 0.443350 O\n0.532720 0.376254 0.447457 O\n0.860230 0.280989 0.495134 O\n0.360230 0.719011 0.504866 O\n0.032720 0.623746 0.552543 O\n0.082955 0.859603 0.556650 O\n0.071931 0.135987 0.570285 O\n0.098440 0.363856 0.589852 O\n0.386703 0.002606 0.636691 O\n0.770962 0.966326 0.637666 O\n0.781688 0.250461 0.637460 O\n0.275315 0.711146 0.643036 O\n0.402084 0.478418 0.651423 O\n0.783725 0.521898 0.659885 O\n0.039886 0.103624 0.736258 O\n0.608264 0.082867 0.747177 O\n0.111584 0.887465 0.738417 O\n0.543537 0.861590 0.737106 O\n0.043537 0.361590 0.762894 O\n0.611584 0.387465 0.761583 O\n0.108264 0.582867 0.752823 O\n0.539886 0.603624 0.763742 O\n0.283725 0.021898 0.840115 O\n0.902084 0.978418 0.848577 O\n0.775315 0.211146 0.856964 O\n0.281688 0.750461 0.862540 O\n0.270962 0.466326 0.862334 O\n0.886703 0.502606 0.863309 O\n0.598440 0.863856 0.910148 O\n0.571931 0.635987 0.929715 O\n0.582955 0.359603 0.943350 O\n0.532720 0.123746 0.947457 O\n0.860230 0.219011 0.995134 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 2.83766552789418,
            "density_atomic": 0.07074504647453253,
            "volume": 1243.9033456805923,
            "volume_molar": 8.51245572673121,
            "formula_full": "Fe12 P16 O60",
            "formula_reduced": "Fe3P4O15",
            "formula_anonymous": "A3B4C15",
            "energy": -684.26851738,
            "energy_per_atom": -7.77577860659091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -615.97651738,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9993662,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:46.559000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-1214224",
            "created_at": "2022-09-04T14:47:00.653718Z",
            "structure_string": "Ba2 Yb2 Cu2 Te6\n1.0\n2.213924 -7.427797 0.000000\n2.213924 7.427797 0.000000\n0.000000 0.000000 11.650041\nBa Yb Cu Te\n2 2 2 6\ndirect\n0.251862 0.748138 0.250000 Ba\n0.748138 0.251862 0.750000 Ba\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.534907 0.465093 0.250000 Cu\n0.465093 0.534907 0.750000 Cu\n0.639719 0.360281 0.064782 Te\n0.360281 0.639719 0.935218 Te\n0.360281 0.639719 0.564782 Te\n0.639719 0.360281 0.435218 Te\n0.935117 0.064883 0.250000 Te\n0.064883 0.935117 0.750000 Te\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Ba",
                "Yb",
                "Cu",
                "Te"
            ],
            "chemical_system": "Ba-Cu-Te-Yb",
            "density": 6.558886330702597,
            "density_atomic": 0.03131850785646405,
            "volume": 383.1600169138721,
            "volume_molar": 19.22869629549432,
            "formula_full": "Ba2 Yb2 Cu2 Te6",
            "formula_reduced": "BaYbCuTe3",
            "formula_anonymous": "ABCD3",
            "energy": -49.83931239,
            "energy_per_atom": -4.1532760325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.30731239,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010616,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:45.420000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1233812",
            "created_at": "2022-09-04T14:47:00.706634Z",
            "structure_string": "Ca1 Ti1 H6 O2 F6\n1.0\n0.000000 0.000000 -6.329813\n-3.159831 -5.472989 0.000000\n-3.159831 5.472989 0.000000\nCa Ti H O F\n1 1 6 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Ti\n0.755704 0.808537 0.301956 H\n0.755704 0.493419 0.191463 H\n0.244296 0.506581 0.698044 H\n0.755704 0.698044 0.506581 H\n0.244296 0.301956 0.808537 H\n0.244296 0.191463 0.493419 H\n0.720060 0.666667 0.333333 O\n0.279940 0.333333 0.666667 O\n0.765483 0.756024 0.753196 F\n0.765483 0.997172 0.243976 F\n0.234516 0.002828 0.246804 F\n0.765483 0.246804 0.002828 F\n0.234516 0.753196 0.756024 F\n0.234516 0.243976 0.997172 F\n",
            "nsites": 16,
            "nelements": 5,
            "elements": [
                "Ca",
                "Ti",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Ca-F-H-O-Ti",
            "density": 1.8201962055432612,
            "density_atomic": 0.07308204245723231,
            "volume": 218.93203120812092,
            "volume_molar": 8.240246930050105,
            "formula_full": "Ca1 Ti1 H6 O2 F6",
            "formula_reduced": "CaTiH6(OF3)2",
            "formula_anonymous": "ABC2D6E6",
            "energy": -87.53991985,
            "energy_per_atom": -5.471244990625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.39391985,
            "band_gap": 0.3673999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9978672,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:51.996000Z",
            "spacegroup": 150
        },
        {
            "id": "mp-756714",
            "created_at": "2022-09-04T14:47:00.554543Z",
            "structure_string": "Li5 Co5 Sn2 O12\n1.0\n4.583878 2.603312 0.000000\n-4.583878 2.603312 0.000000\n0.000000 2.049667 9.841507\nLi Co Sn O\n5 5 2 12\ndirect\n0.811979 0.682176 0.250789 Li\n0.670065 0.812653 0.743326 Li\n0.317824 0.188021 0.749211 Li\n0.187347 0.329935 0.256674 Li\n0.085786 0.914214 0.500000 Li\n0.915856 0.084144 0.000000 Co\n0.999514 0.503451 0.746632 Co\n0.496549 0.000486 0.253368 Co\n0.582435 0.417565 0.000000 Co\n0.418726 0.581274 0.500000 Co\n0.749242 0.250758 0.500000 Sn\n0.248995 0.751005 0.000000 Sn\n0.054538 0.238229 0.616782 O\n0.761771 0.945462 0.383218 O\n0.871397 0.373505 0.123598 O\n0.626495 0.128603 0.876402 O\n0.687093 0.527758 0.615332 O\n0.472242 0.312907 0.384668 O\n0.535949 0.713416 0.118704 O\n0.286584 0.464051 0.881296 O\n0.383323 0.845068 0.613536 O\n0.154932 0.616677 0.386464 O\n0.212370 0.031011 0.124202 O\n0.968989 0.787630 0.875798 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "Sn",
                "O"
            ],
            "chemical_system": "Co-Li-O-Sn",
            "density": 5.364339567799169,
            "density_atomic": 0.10217869924133686,
            "volume": 234.88261426497675,
            "volume_molar": 5.893734021585308,
            "formula_full": "Li5 Co5 Sn2 O12",
            "formula_reduced": "Li5Co5(SnO6)2",
            "formula_anonymous": "A2B5C5D12",
            "energy": -154.95241611,
            "energy_per_atom": -6.45635067125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.51841611,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.9999524,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:52.459000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1189264",
            "created_at": "2022-09-04T14:47:00.556900Z",
            "structure_string": "U4 Ni4 S12\n1.0\n0.000000 0.000000 5.945911\n7.061006 0.000000 0.000000\n0.000000 8.328957 0.000000\nU Ni S\n4 4 12\ndirect\n0.436300 0.867401 0.250000 U\n0.063700 0.367401 0.250000 U\n0.563700 0.132599 0.750000 U\n0.936300 0.632599 0.750000 U\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.171897 0.666653 0.052365 S\n0.328103 0.166653 0.447635 S\n0.828103 0.333347 0.552365 S\n0.671897 0.833347 0.947635 S\n0.828103 0.333347 0.947635 S\n0.671897 0.833347 0.552365 S\n0.171897 0.666653 0.447635 S\n0.328103 0.166653 0.052365 S\n0.852407 0.037466 0.250000 S\n0.647593 0.537466 0.250000 S\n0.147593 0.962534 0.750000 S\n0.352407 0.462534 0.750000 S\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "U",
                "Ni",
                "S"
            ],
            "chemical_system": "Ni-S-U",
            "density": 7.463364391356659,
            "density_atomic": 0.057194516224614425,
            "volume": 349.6838739129457,
            "volume_molar": 10.529227551029255,
            "formula_full": "U4 Ni4 S12",
            "formula_reduced": "UNiS3",
            "formula_anonymous": "ABC3",
            "energy": -143.54595847,
            "energy_per_atom": -7.177297923499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -137.50995847,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.9927674,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:50.978000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-985701",
            "created_at": "2022-09-04T14:47:00.558782Z",
            "structure_string": "Ag2 As6 H4 O18\n1.0\n7.337883 0.000000 0.000000\n-2.148878 7.499371 0.000000\n-2.293762 -3.674491 6.789065\nAg As H O\n2 6 4 18\ndirect\n0.296655 0.829124 0.041881 Ag\n0.703345 0.170876 0.958119 Ag\n0.371640 0.352336 0.165718 As\n0.184603 0.834030 0.456891 As\n0.156064 0.436655 0.476163 As\n0.843936 0.563345 0.523837 As\n0.815397 0.165970 0.543109 As\n0.628360 0.647664 0.834282 As\n0.868645 0.634990 0.077813 H\n0.636441 0.812398 0.390625 H\n0.363559 0.187602 0.609375 H\n0.131355 0.365010 0.922187 H\n0.281243 0.467907 0.032271 O\n0.398386 0.146363 0.039258 O\n0.093651 0.790698 0.222628 O\n0.190036 0.285723 0.260567 O\n0.913422 0.436653 0.319718 O\n0.607569 0.561903 0.354348 O\n0.610263 0.926685 0.377085 O\n0.004981 0.180217 0.448624 O\n0.681192 0.310729 0.494618 O\n0.318808 0.689271 0.505382 O\n0.995019 0.819783 0.551376 O\n0.389737 0.073315 0.622915 O\n0.392431 0.438097 0.645652 O\n0.086578 0.563347 0.680282 O\n0.809964 0.714277 0.739433 O\n0.906349 0.209302 0.777372 O\n0.601614 0.853637 0.960742 O\n0.718757 0.532093 0.967729 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Ag",
                "As",
                "H",
                "O"
            ],
            "chemical_system": "Ag-As-H-O",
            "density": 4.254863694990965,
            "density_atomic": 0.08030002235078244,
            "volume": 373.598899748098,
            "volume_molar": 7.499550540213915,
            "formula_full": "Ag2 As6 H4 O18",
            "formula_reduced": "AgAs3H2O9",
            "formula_anonymous": "AB2C3D9",
            "energy": -178.84009112,
            "energy_per_atom": -5.961336370666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -166.47409112,
            "band_gap": 0.8362,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015845,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.852000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1112359",
            "created_at": "2022-09-04T14:47:00.562772Z",
            "structure_string": "K2 In1 Bi1 F6\n1.0\n0.000000 4.840413 4.840413\n4.840413 0.000000 4.840413\n4.840413 4.840413 0.000000\nK In Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.764902 0.235098 0.235098 F\n0.235098 0.235098 0.764902 F\n0.235098 0.764902 0.764902 F\n0.235098 0.764902 0.235098 F\n0.764902 0.235098 0.764902 F\n0.764902 0.764902 0.235098 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "In",
                "Bi",
                "F"
            ],
            "chemical_system": "Bi-F-In-K",
            "density": 3.777541770168745,
            "density_atomic": 0.044088238597648495,
            "volume": 226.81786159026464,
            "volume_molar": 13.65929089378771,
            "formula_full": "K2 In1 Bi1 F6",
            "formula_reduced": "K2InBiF6",
            "formula_anonymous": "ABC2D6",
            "energy": -46.49450377,
            "energy_per_atom": -4.649450377,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.72250377,
            "band_gap": 2.3638000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020151,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:51.026000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-542569",
            "created_at": "2022-09-04T14:47:00.573178Z",
            "structure_string": "Al1 Ru1\n1.0\n3.005457 0.000000 0.000000\n0.000000 3.005457 0.000000\n0.000000 0.000000 3.005457\nAl Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ru\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Al",
                "Ru"
            ],
            "chemical_system": "Al-Ru",
            "density": 7.832534964691828,
            "density_atomic": 0.07367131796618068,
            "volume": 27.14760717214417,
            "volume_molar": 8.174335584391887,
            "formula_full": "Al1 Ru1",
            "formula_reduced": "AlRu",
            "formula_anonymous": "AB",
            "energy": -14.36692027,
            "energy_per_atom": -7.183460135,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.36692027,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0029631,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.384000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1211116",
            "created_at": "2022-09-04T14:47:00.582120Z",
            "structure_string": "Ni1 H36 C60 N12\n1.0\n10.017083 0.000000 0.000000\n1.860529 10.217726 0.000000\n1.795892 1.964738 10.350878\nNi H C N\n1 36 60 12\ndirect\n0.500000 0.000000 0.000000 Ni\n0.683097 0.146595 0.024114 H\n0.316903 0.853405 0.975886 H\n0.972646 0.051055 0.076610 H\n0.027354 0.948945 0.923390 H\n0.228675 0.998597 0.007096 H\n0.771325 0.001403 0.992904 H\n0.689621 0.015506 0.139656 H\n0.310379 0.984494 0.860344 H\n0.620935 0.746254 0.082020 H\n0.379065 0.253746 0.917980 H\n0.043977 0.076125 0.193972 H\n0.956023 0.923875 0.806028 H\n0.715961 0.343971 0.110117 H\n0.284039 0.656029 0.889883 H\n0.465237 0.254449 0.037194 H\n0.534763 0.745551 0.962806 H\n0.557295 0.152117 0.761513 H\n0.442705 0.847883 0.238487 H\n0.028032 0.192379 0.064884 H\n0.971968 0.807621 0.935116 H\n0.622142 0.438126 0.006810 H\n0.377858 0.561874 0.993190 H\n0.519244 0.009235 0.742504 H\n0.480756 0.990765 0.257496 H\n0.586395 0.191449 0.310180 H\n0.413605 0.808551 0.689820 H\n0.695076 0.064429 0.368653 H\n0.304924 0.935571 0.631347 H\n0.313254 0.205437 0.067291 H\n0.686746 0.794563 0.932709 H\n0.538673 0.089075 0.439977 H\n0.461327 0.910925 0.560023 H\n0.672804 0.019732 0.774151 H\n0.327196 0.980268 0.225849 H\n0.563115 0.412867 0.161308 H\n0.436885 0.587133 0.838692 H\n0.151725 0.264464 0.298667 C\n0.848275 0.735536 0.701333 C\n0.860135 0.324841 0.314236 C\n0.139865 0.675159 0.685764 C\n0.065809 0.186409 0.398418 C\n0.934191 0.813591 0.601582 C\n0.093532 0.455720 0.815127 C\n0.906468 0.544280 0.184873 C\n0.294303 0.269518 0.582846 C\n0.705697 0.730482 0.417154 C\n0.047726 0.153651 0.636466 C\n0.952274 0.846349 0.363534 C\n0.150403 0.740018 0.253296 C\n0.849597 0.259982 0.746704 C\n0.213327 0.392262 0.749160 C\n0.786673 0.607738 0.250840 C\n0.267736 0.281529 0.354415 C\n0.732264 0.718471 0.645585 C\n0.056595 0.599407 0.782755 C\n0.943405 0.400593 0.217245 C\n0.210048 0.268208 0.707704 C\n0.789952 0.731792 0.292296 C\n0.031089 0.602714 0.157810 C\n0.968911 0.397286 0.842190 C\n0.077525 0.783796 0.594117 C\n0.922475 0.216204 0.405883 C\n0.320947 0.402929 0.319534 C\n0.679053 0.597071 0.680466 C\n0.254117 0.213802 0.488329 C\n0.745883 0.786198 0.511671 C\n0.348227 0.394644 0.546769 C\n0.651773 0.605356 0.453231 C\n0.145270 0.495010 0.173858 C\n0.854730 0.504990 0.826142 C\n0.258482 0.511387 0.227526 C\n0.741518 0.488613 0.772474 C\n0.261906 0.635917 0.267898 C\n0.738094 0.364083 0.732102 C\n0.325159 0.604318 0.384757 C\n0.674841 0.395682 0.615243 C\n0.298251 0.470205 0.649378 C\n0.701749 0.529795 0.350622 C\n0.034272 0.723061 0.198017 C\n0.965728 0.276939 0.801983 C\n0.262369 0.610015 0.618007 C\n0.737631 0.389985 0.381993 C\n0.361340 0.460407 0.416897 C\n0.638660 0.539593 0.583103 C\n0.099921 0.815809 0.355872 C\n0.900079 0.184191 0.644128 C\n0.129671 0.154518 0.515386 C\n0.870329 0.845482 0.484614 C\n0.088504 0.211860 0.733467 C\n0.911496 0.788140 0.266533 C\n0.090950 0.369985 0.209497 C\n0.909050 0.630015 0.790503 C\n0.275874 0.677591 0.484527 C\n0.724126 0.322409 0.515473 C\n0.161809 0.784813 0.469489 C\n0.838191 0.215187 0.530511 C\n0.683347 0.045700 0.042998 N\n0.316653 0.954300 0.957002 N\n0.051140 0.091741 0.095420 N\n0.948860 0.908259 0.904580 N\n0.403502 0.201691 0.005857 N\n0.596498 0.798309 0.994143 N\n0.570404 0.051632 0.796165 N\n0.429596 0.948368 0.203835 N\n0.595649 0.092306 0.350741 N\n0.404351 0.907694 0.649259 N\n0.617448 0.366464 0.088831 N\n0.382552 0.633536 0.911169 N\n",
            "nsites": 109,
            "nelements": 4,
            "elements": [
                "Ni",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "C-H-N-Ni",
            "density": 1.5418416685579435,
            "density_atomic": 0.10288540782933718,
            "volume": 1059.431092315885,
            "volume_molar": 5.853250608666802,
            "formula_full": "Ni1 H36 C60 N12",
            "formula_reduced": "NiH36(C5N)12",
            "formula_anonymous": "AB12C36D60",
            "energy": -778.99934741,
            "energy_per_atom": -7.146783003761469,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -774.66734741,
            "band_gap": 0.0110999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0000002,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:50.828000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1104515",
            "created_at": "2022-09-04T14:47:00.607307Z",
            "structure_string": "Lu4 Fe2 C8\n1.0\n0.000000 0.000000 4.932630\n3.714902 4.655280 2.466315\n-3.714902 4.655280 2.466315\nLu Fe C\n4 2 8\ndirect\n0.145704 0.200063 0.508528 Lu\n0.854296 0.799937 0.491472 Lu\n0.645704 0.508528 0.200063 Lu\n0.354296 0.491472 0.799937 Lu\n0.750000 0.000000 0.000000 Fe\n0.250000 0.000000 0.000000 Fe\n0.369645 0.788363 0.472347 C\n0.630355 0.211637 0.527653 C\n0.869645 0.472347 0.788363 C\n0.130355 0.527653 0.211637 C\n0.422224 0.909295 0.246258 C\n0.577776 0.090705 0.753742 C\n0.922224 0.246258 0.909295 C\n0.077776 0.753742 0.090705 C\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Lu",
                "Fe",
                "C"
            ],
            "chemical_system": "C-Fe-Lu",
            "density": 8.834108777448241,
            "density_atomic": 0.08205902095432785,
            "volume": 170.60890852928986,
            "volume_molar": 7.338791871952487,
            "formula_full": "Lu4 Fe2 C8",
            "formula_reduced": "Lu2FeC4",
            "formula_anonymous": "AB2C4",
            "energy": -113.35931154,
            "energy_per_atom": -8.097093681428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.35931154,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0082258,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.636000Z",
            "spacegroup": 72
        }
    ]
}