GET /third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=72
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=-spacegroup&page=73",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=71",
    "results": [
        {
            "id": "mp-1213963",
            "created_at": "2022-09-04T14:46:20.195498Z",
            "structure_string": "Ce8 Os2\n1.0\n-5.364958 -5.364958 0.000000\n-5.364958 0.000000 -5.364958\n0.000000 -5.364958 -5.364958\nCe Os\n8 2\ndirect\n0.609987 0.609987 0.609987 Ce\n0.170040 0.609987 0.609987 Ce\n0.609987 0.170040 0.609987 Ce\n0.579960 0.140013 0.140013 Ce\n0.140013 0.140013 0.140013 Ce\n0.609987 0.609987 0.170040 Ce\n0.140013 0.579960 0.140013 Ce\n0.140013 0.140013 0.579960 Ce\n0.000000 0.000000 0.000000 Os\n0.750000 0.750000 0.750000 Os\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Ce",
                "Os"
            ],
            "chemical_system": "Ce-Os",
            "density": 8.072593111357275,
            "density_atomic": 0.03237956612920839,
            "volume": 308.83675093408294,
            "volume_molar": 18.598583859861087,
            "formula_full": "Ce8 Os2",
            "formula_reduced": "Ce4Os",
            "formula_anonymous": "AB4",
            "energy": -66.19364824,
            "energy_per_atom": -6.619364824,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.19364824,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.6542143,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.007000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-504704",
            "created_at": "2022-09-04T14:46:20.960700Z",
            "structure_string": "Ni4 Hg4 O2 F12\n1.0\n2.146505 6.071232 3.717856\n-2.146505 -6.071232 3.717855\n6.439515 0.000000 -3.717855\nNi Hg O F\n4 4 2 12\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.125000 0.750000 0.375000 O\n0.875000 0.250000 0.625000 O\n0.572926 0.250000 0.927074 F\n0.427074 0.750000 0.677074 F\n0.822926 0.750000 0.072926 F\n0.822926 0.750000 0.677074 F\n0.427074 0.354149 0.677074 F\n0.822926 0.145851 0.072926 F\n0.572926 0.645851 0.322926 F\n0.572926 0.250000 0.322926 F\n0.177074 0.250000 0.927074 F\n0.177074 0.854149 0.927074 F\n0.427074 0.750000 0.072926 F\n0.177074 0.250000 0.322926 F\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Ni",
                "Hg",
                "O",
                "F"
            ],
            "chemical_system": "F-Hg-Ni-O",
            "density": 7.409254272764885,
            "density_atomic": 0.07567809492168583,
            "volume": 290.7049922803464,
            "volume_molar": 7.957574468849815,
            "formula_full": "Ni4 Hg4 O2 F12",
            "formula_reduced": "Ni2Hg2OF6",
            "formula_anonymous": "AB2C2D6",
            "energy": -98.93326455,
            "energy_per_atom": -4.496966570454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.85126455,
            "band_gap": 0.996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:30.120000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1210201",
            "created_at": "2022-09-04T14:46:21.156257Z",
            "structure_string": "Nd8 Ni2\n1.0\n0.000000 5.501135 5.501135\n5.501135 0.000000 5.501135\n5.501135 5.501135 0.000000\nNd Ni\n8 2\ndirect\n0.386297 0.386297 0.386297 Nd\n0.386297 0.386297 0.841109 Nd\n0.386297 0.841109 0.386297 Nd\n0.863703 0.863703 0.408891 Nd\n0.863703 0.863703 0.863703 Nd\n0.841109 0.386297 0.386297 Nd\n0.863703 0.408891 0.863703 Nd\n0.408891 0.863703 0.863703 Nd\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Nd",
                "Ni"
            ],
            "chemical_system": "Nd-Ni",
            "density": 6.34042002621793,
            "density_atomic": 0.03003399442580788,
            "volume": 332.9560450143492,
            "volume_molar": 20.051081699693068,
            "formula_full": "Nd8 Ni2",
            "formula_reduced": "Nd4Ni",
            "formula_anonymous": "AB4",
            "energy": -47.51821461,
            "energy_per_atom": -4.7518214610000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.51821461,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0513531,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.501000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-4155",
            "created_at": "2022-09-04T14:46:21.477236Z",
            "structure_string": "Ca4 Nb4 O14\n1.0\n0.000000 5.291711 5.291711\n5.291711 0.000000 5.291711\n5.291711 5.291711 0.000000\nCa Nb O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Ca\n0.125000 0.125000 0.625000 Ca\n0.625000 0.125000 0.125000 Ca\n0.125000 0.125000 0.125000 Ca\n0.625000 0.125000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.625000 Nb\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.307404 0.307404 0.692596 O\n0.557404 0.557404 0.942596 O\n0.692596 0.307404 0.692596 O\n0.692596 0.307404 0.307404 O\n0.307404 0.692596 0.692596 O\n0.307404 0.692596 0.307404 O\n0.692596 0.692596 0.307404 O\n0.942596 0.557404 0.557404 O\n0.557404 0.942596 0.942596 O\n0.942596 0.942596 0.557404 O\n0.942596 0.557404 0.942596 O\n0.557404 0.942596 0.557404 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Ca",
                "Nb",
                "O"
            ],
            "chemical_system": "Ca-Nb-O",
            "density": 4.235569616113565,
            "density_atomic": 0.07423425116739192,
            "volume": 296.3591557001346,
            "volume_molar": 8.112347959731668,
            "formula_full": "Ca4 Nb4 O14",
            "formula_reduced": "Ca2Nb2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -189.33246978,
            "energy_per_atom": -8.606021353636363,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.71446978,
            "band_gap": 1.4400000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.39e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:26.968000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-7831",
            "created_at": "2022-09-04T14:46:25.659270Z",
            "structure_string": "Mg2 In4 O8\n1.0\n0.000000 4.529841 4.529841\n4.529841 0.000000 4.529841\n4.529841 4.529841 0.000000\nMg In O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.125000 0.625000 0.625000 In\n0.625000 0.625000 0.625000 In\n0.625000 0.125000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.869122 0.869122 0.869122 O\n0.857367 0.380878 0.380878 O\n0.380878 0.380878 0.857367 O\n0.380878 0.857367 0.380878 O\n0.869122 0.869122 0.392633 O\n0.869122 0.392633 0.869122 O\n0.380878 0.380878 0.380878 O\n0.392633 0.869122 0.869122 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "In",
                "O"
            ],
            "chemical_system": "In-Mg-O",
            "density": 5.679936495613017,
            "density_atomic": 0.07530939611416905,
            "volume": 185.89977774852954,
            "volume_molar": 7.996533063245433,
            "formula_full": "Mg2 In4 O8",
            "formula_reduced": "MgIn2O4",
            "formula_anonymous": "AB2C4",
            "energy": -85.59692444999999,
            "energy_per_atom": -6.114066032142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.10092445,
            "band_gap": 1.838,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001811,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:40.203000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-22089",
            "created_at": "2022-09-04T14:46:22.679700Z",
            "structure_string": "Hg4 Os4 O14\n1.0\n0.000000 5.200338 5.200338\n5.200338 0.000000 5.200338\n5.200338 5.200338 0.000000\nHg Os O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Hg\n0.625000 0.125000 0.125000 Hg\n0.125000 0.125000 0.625000 Hg\n0.125000 0.625000 0.125000 Hg\n0.625000 0.625000 0.625000 Os\n0.125000 0.625000 0.625000 Os\n0.625000 0.625000 0.125000 Os\n0.625000 0.125000 0.625000 Os\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.311588 0.311588 0.688412 O\n0.561588 0.561588 0.938412 O\n0.688412 0.311588 0.688412 O\n0.688412 0.311588 0.311588 O\n0.311588 0.688412 0.688412 O\n0.311588 0.688412 0.311588 O\n0.688412 0.688412 0.311588 O\n0.938412 0.561588 0.561588 O\n0.561588 0.938412 0.938412 O\n0.938412 0.938412 0.561588 O\n0.938412 0.561588 0.938412 O\n0.561588 0.938412 0.561588 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Hg",
                "Os",
                "O"
            ],
            "chemical_system": "Hg-O-Os",
            "density": 10.551517914911758,
            "density_atomic": 0.07821642636848394,
            "volume": 281.2708406844901,
            "volume_molar": 7.699329974025155,
            "formula_full": "Hg4 Os4 O14",
            "formula_reduced": "Hg2Os2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -141.59525902,
            "energy_per_atom": -6.436148137272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -131.97725902,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0737714,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:35.979000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1232112",
            "created_at": "2022-09-04T14:46:22.713658Z",
            "structure_string": "Tb4 Mg2 S8\n1.0\n0.000000 5.615821 5.615821\n5.615821 0.000000 5.615821\n5.615821 5.615821 0.000000\nTb Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.125000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.879405 0.879405 0.879405 S\n0.361786 0.879405 0.879405 S\n0.879405 0.361786 0.879405 S\n0.879405 0.879405 0.361786 S\n0.370595 0.370595 0.888214 S\n0.370595 0.888214 0.370595 S\n0.888214 0.370595 0.370595 S\n0.370595 0.370595 0.370595 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Tb",
                "Mg",
                "S"
            ],
            "chemical_system": "Mg-S-Tb",
            "density": 4.410533606993211,
            "density_atomic": 0.03952376154121079,
            "volume": 354.21729749589815,
            "volume_molar": 15.236760179622102,
            "formula_full": "Tb4 Mg2 S8",
            "formula_reduced": "Tb2MgS4",
            "formula_anonymous": "AB2C4",
            "energy": -85.10140485,
            "energy_per_atom": -6.078671774999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.07740485,
            "band_gap": 1.8836,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002365,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:32.075000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1195806",
            "created_at": "2022-09-04T14:46:24.292678Z",
            "structure_string": "Be8 N4 Cl20\n1.0\n0.000000 7.138465 7.138465\n7.138465 0.000000 7.138465\n7.138465 7.138465 0.000000\nBe N Cl\n8 4 20\ndirect\n0.004425 0.331858 0.331858 Be\n0.331858 0.004425 0.331858 Be\n0.331858 0.331858 0.004425 Be\n0.331858 0.331858 0.331858 Be\n0.245575 0.918142 0.918142 Be\n0.918142 0.245575 0.918142 Be\n0.918142 0.918142 0.245575 Be\n0.918142 0.918142 0.918142 Be\n0.125000 0.625000 0.625000 N\n0.625000 0.125000 0.625000 N\n0.625000 0.625000 0.125000 N\n0.625000 0.625000 0.625000 N\n0.084105 0.084105 0.415895 Cl\n0.415895 0.415895 0.084105 Cl\n0.084105 0.415895 0.084105 Cl\n0.415895 0.084105 0.415895 Cl\n0.415895 0.084105 0.084105 Cl\n0.084105 0.415895 0.415895 Cl\n0.165895 0.165895 0.834105 Cl\n0.834105 0.834105 0.165895 Cl\n0.165895 0.834105 0.165895 Cl\n0.834105 0.165895 0.834105 Cl\n0.834105 0.165895 0.165895 Cl\n0.165895 0.834105 0.834105 Cl\n0.763603 0.412132 0.412132 Cl\n0.412132 0.763603 0.412132 Cl\n0.412132 0.412132 0.763603 Cl\n0.412132 0.412132 0.412132 Cl\n0.486397 0.837868 0.837868 Cl\n0.837868 0.486397 0.837868 Cl\n0.837868 0.837868 0.486397 Cl\n0.837868 0.837868 0.837868 Cl\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Be",
                "N",
                "Cl"
            ],
            "chemical_system": "Be-Cl-N",
            "density": 1.9108458379553663,
            "density_atomic": 0.04398508941211268,
            "volume": 727.5192668174454,
            "volume_molar": 13.691323219958292,
            "formula_full": "Be8 N4 Cl20",
            "formula_reduced": "Be2NCl5",
            "formula_anonymous": "AB2C5",
            "energy": -122.03154404,
            "energy_per_atom": -3.81348575125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -109.75154404,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.991935,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:38.086000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-756393",
            "created_at": "2022-09-04T14:46:24.637019Z",
            "structure_string": "Er4 Nb4 O14\n1.0\n0.000000 5.155210 5.155210\n5.155210 0.000000 5.155210\n5.155210 5.155210 0.000000\nEr Nb O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Er\n0.125000 0.125000 0.625000 Er\n0.625000 0.125000 0.125000 Er\n0.125000 0.625000 0.125000 Er\n0.625000 0.125000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.625000 Nb\n0.972627 0.527373 0.972627 O\n0.250000 0.250000 0.250000 O\n0.722627 0.277373 0.722627 O\n0.722627 0.722627 0.277373 O\n0.277373 0.722627 0.722627 O\n0.972627 0.972627 0.527373 O\n0.527373 0.972627 0.972627 O\n0.972627 0.527373 0.527373 O\n0.527373 0.527373 0.972627 O\n0.722627 0.277373 0.277373 O\n0.277373 0.277373 0.722627 O\n0.000000 0.000000 0.000000 O\n0.277373 0.722627 0.277373 O\n0.527373 0.972627 0.527373 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Er",
                "Nb",
                "O"
            ],
            "chemical_system": "Er-Nb-O",
            "density": 7.663928388654944,
            "density_atomic": 0.08028854758479323,
            "volume": 274.01168238553157,
            "volume_molar": 7.500622369136745,
            "formula_full": "Er4 Nb4 O14",
            "formula_reduced": "Er2Nb2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -202.754696,
            "energy_per_atom": -9.216122545454546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -193.136696,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009722,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:32.904000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1208177",
            "created_at": "2022-09-04T14:46:24.700211Z",
            "structure_string": "U8 Co2\n1.0\n-4.762911 -4.762911 0.000000\n-4.762911 0.000000 -4.762911\n0.000000 -4.762911 -4.762911\nU Co\n8 2\ndirect\n0.600794 0.600794 0.600794 U\n0.197617 0.600794 0.600794 U\n0.600794 0.197617 0.600794 U\n0.552383 0.149206 0.149206 U\n0.149206 0.149206 0.149206 U\n0.600794 0.600794 0.197617 U\n0.149206 0.552383 0.149206 U\n0.149206 0.149206 0.552383 U\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Co\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "U",
                "Co"
            ],
            "chemical_system": "Co-U",
            "density": 15.538311784404788,
            "density_atomic": 0.04627565827262418,
            "volume": 216.09633170611892,
            "volume_molar": 13.013625272538992,
            "formula_full": "U8 Co2",
            "formula_reduced": "U4Co",
            "formula_anonymous": "AB4",
            "energy": -97.57273364,
            "energy_per_atom": -9.757273364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.57273364,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.7061986,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:36.045000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1194201",
            "created_at": "2022-09-04T14:46:24.889407Z",
            "structure_string": "Nb12 Fe12 N4\n1.0\n0.000000 5.648376 5.648376\n5.648376 0.000000 5.648376\n5.648376 5.648376 0.000000\nNb Fe N\n12 12 4\ndirect\n0.801024 0.801024 0.198976 Nb\n0.198976 0.198976 0.801024 Nb\n0.801024 0.198976 0.801024 Nb\n0.198976 0.801024 0.198976 Nb\n0.198976 0.801024 0.801024 Nb\n0.801024 0.198976 0.198976 Nb\n0.448976 0.448976 0.051024 Nb\n0.051024 0.051024 0.448976 Nb\n0.448976 0.051024 0.448976 Nb\n0.051024 0.448976 0.051024 Nb\n0.051024 0.448976 0.448976 Nb\n0.448976 0.051024 0.051024 Nb\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.625000 0.625000 Fe\n0.725865 0.424712 0.424712 Fe\n0.424712 0.725865 0.424712 Fe\n0.424712 0.424712 0.725865 Fe\n0.424712 0.424712 0.424712 Fe\n0.524135 0.825288 0.825288 Fe\n0.825288 0.524135 0.825288 Fe\n0.825288 0.825288 0.524135 Fe\n0.825288 0.825288 0.825288 Fe\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Nb",
                "Fe",
                "N"
            ],
            "chemical_system": "Fe-N-Nb",
            "density": 8.482274479324676,
            "density_atomic": 0.07768858986128627,
            "volume": 360.41328655848014,
            "volume_molar": 7.751641226533512,
            "formula_full": "Nb12 Fe12 N4",
            "formula_reduced": "Nb3Fe3N",
            "formula_anonymous": "AB3C3",
            "energy": -269.75066679,
            "energy_per_atom": -9.633952385357144,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -268.30666679,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0067985,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:40.742000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-2665",
            "created_at": "2022-09-04T14:46:57.415825Z",
            "structure_string": "Pr2 Ru4\n1.0\n0.000000 3.855283 3.855283\n3.855283 0.000000 3.855283\n3.855283 3.855283 0.000000\nPr Ru\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Pr",
                "Ru"
            ],
            "chemical_system": "Pr-Ru",
            "density": 9.941107181580719,
            "density_atomic": 0.05235431297525109,
            "volume": 114.60373862295391,
            "volume_molar": 11.502664093494618,
            "formula_full": "Pr2 Ru4",
            "formula_reduced": "PrRu2",
            "formula_anonymous": "AB2",
            "energy": -47.23968937,
            "energy_per_atom": -7.8732815616666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.23968937,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0037284,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.664000Z",
            "spacegroup": 227
        }
    ]
}