GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=107
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=band_gap&page=108",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=106",
    "results": [
        {
            "id": "mp-780861",
            "created_at": "2022-09-04T14:46:13.662847Z",
            "structure_string": "Fe8 O14 F2\n1.0\n3.222207 4.510083 0.000000\n-3.222207 4.510083 0.000000\n0.000000 0.994441 8.886273\nFe O F\n8 14 2\ndirect\n0.862698 0.862698 0.612848 Fe\n0.630419 0.630419 0.877314 Fe\n0.500000 0.500000 0.500000 Fe\n0.733636 0.733636 0.245166 Fe\n0.266364 0.266364 0.754834 Fe\n0.369581 0.369581 0.122686 Fe\n0.137302 0.137302 0.387152 Fe\n0.000000 0.000000 0.000000 Fe\n0.948205 0.559635 0.749957 O\n0.812820 0.187180 0.500000 O\n0.559635 0.948205 0.749957 O\n0.711491 0.711491 0.466912 O\n0.483983 0.483983 0.714879 O\n0.218588 0.218588 0.969603 O\n0.516017 0.516017 0.285121 O\n0.781412 0.781412 0.030397 O\n0.288509 0.288509 0.533088 O\n0.440365 0.051795 0.250043 O\n0.187180 0.812820 0.500000 O\n0.692539 0.307461 0.000000 O\n0.051795 0.440365 0.250043 O\n0.307461 0.692539 0.000000 O\n0.972608 0.972608 0.226629 F\n0.027392 0.027392 0.773371 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.55673292378517,
            "density_atomic": 0.09292308582661674,
            "volume": 258.2781209481259,
            "volume_molar": 6.480779998241328,
            "formula_full": "Fe8 O14 F2",
            "formula_reduced": "Fe4O7F",
            "formula_anonymous": "AB4C7",
            "energy": -176.01258764,
            "energy_per_atom": -7.333857818333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.42258764,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 34.0523648,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.708000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-567262",
            "created_at": "2022-09-04T14:46:13.717493Z",
            "structure_string": "Ni2 C2 N4\n1.0\n1.565111 -2.710851 0.000000\n1.565111 2.710851 0.000000\n0.000000 0.000000 9.289736\nNi C N\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.383299 N\n0.333333 0.666667 0.616701 N\n0.333333 0.666667 0.883299 N\n0.666667 0.333333 0.116701 N\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Ni",
                "C",
                "N"
            ],
            "chemical_system": "C-N-Ni",
            "density": 4.159001551282713,
            "density_atomic": 0.10148592811421785,
            "volume": 78.82866273830949,
            "volume_molar": 5.933966286658335,
            "formula_full": "Ni2 C2 N4",
            "formula_reduced": "NiCN2",
            "formula_anonymous": "ABC2",
            "energy": -62.283539270000006,
            "energy_per_atom": -7.785442408750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.83953927,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.2062785,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:26.971000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1444973",
            "created_at": "2022-09-04T14:46:13.877231Z",
            "structure_string": "Zn1 Cr4 S8\n1.0\n6.376849 -3.400435 0.000000\n6.376849 3.400435 0.000000\n4.563578 0.000000 5.603653\nZn Cr S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.263903 0.756629 0.756629 S\n0.243371 0.243371 0.736097 S\n0.736097 0.243371 0.243371 S\n0.243371 0.736097 0.243371 S\n0.261125 0.261125 0.261125 S\n0.738875 0.738875 0.738875 S\n0.756629 0.263903 0.756629 S\n0.756629 0.756629 0.263903 S\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Zn",
                "Cr",
                "S"
            ],
            "chemical_system": "Cr-S-Zn",
            "density": 3.620863544719986,
            "density_atomic": 0.05349356126976466,
            "volume": 243.01990167455517,
            "volume_molar": 11.257692733581008,
            "formula_full": "Zn1 Cr4 S8",
            "formula_reduced": "Zn(CrS2)4",
            "formula_anonymous": "AB4C8",
            "energy": -84.52420211,
            "energy_per_atom": -6.501861700769231,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.50020211,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0003801,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.872000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-624299",
            "created_at": "2022-09-04T14:46:10.852606Z",
            "structure_string": "Cu28 S16\n1.0\n7.829349 0.000000 0.000000\n0.000000 7.873055 0.000000\n0.000000 0.000000 10.889316\nCu S\n28 16\ndirect\n0.520851 0.750000 0.152337 Cu\n0.979149 0.250000 0.652337 Cu\n0.419348 0.750000 0.829557 Cu\n0.518017 0.750000 0.408528 Cu\n0.264935 0.085417 0.159557 Cu\n0.020851 0.750000 0.347663 Cu\n0.326982 0.023222 0.426025 Cu\n0.826982 0.476778 0.073975 Cu\n0.735065 0.914583 0.840443 Cu\n0.235065 0.585417 0.659557 Cu\n0.481983 0.250000 0.591472 Cu\n0.673018 0.523222 0.573975 Cu\n0.735065 0.585417 0.840443 Cu\n0.018017 0.750000 0.091472 Cu\n0.173018 0.976778 0.926025 Cu\n0.235065 0.914583 0.659557 Cu\n0.919348 0.750000 0.670443 Cu\n0.326982 0.476778 0.426025 Cu\n0.826982 0.023222 0.073975 Cu\n0.479149 0.250000 0.847663 Cu\n0.580652 0.250000 0.170443 Cu\n0.764935 0.085417 0.340443 Cu\n0.264935 0.414583 0.159557 Cu\n0.764935 0.414583 0.340443 Cu\n0.673018 0.976778 0.573975 Cu\n0.981983 0.250000 0.908528 Cu\n0.173018 0.523222 0.926025 Cu\n0.080652 0.250000 0.329557 Cu\n0.212001 0.250000 0.515675 S\n0.001340 0.997917 0.237732 S\n0.787999 0.750000 0.484325 S\n0.501340 0.502083 0.262268 S\n0.498660 0.497917 0.737732 S\n0.744653 0.750000 0.015869 S\n0.998660 0.002083 0.762268 S\n0.244653 0.750000 0.484131 S\n0.998660 0.497917 0.762268 S\n0.501340 0.997917 0.262268 S\n0.255347 0.250000 0.984131 S\n0.001340 0.502083 0.237732 S\n0.287999 0.750000 0.015675 S\n0.498660 0.002083 0.737732 S\n0.755347 0.250000 0.515869 S\n0.712001 0.250000 0.984325 S\n",
            "nsites": 44,
            "nelements": 2,
            "elements": [
                "Cu",
                "S"
            ],
            "chemical_system": "Cu-S",
            "density": 5.670956524416504,
            "density_atomic": 0.06555157602270946,
            "volume": 671.2271873487343,
            "volume_molar": 9.186874100347659,
            "formula_full": "Cu28 S16",
            "formula_reduced": "Cu7S4",
            "formula_anonymous": "A4B7",
            "energy": -195.61081609,
            "energy_per_atom": -4.445700365681818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -187.56281609,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015527,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:23.073000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1214709",
            "created_at": "2022-09-04T14:46:13.669782Z",
            "structure_string": "Ba2 Eu1 Cu4 O8\n1.0\n1.940647 -13.864307 0.000000\n1.940647 13.864307 0.000000\n0.000000 0.000000 3.913904\nBa Eu Cu O\n2 1 4 8\ndirect\n0.635364 0.364636 0.500000 Ba\n0.364636 0.635364 0.500000 Ba\n0.500000 0.500000 0.500000 Eu\n0.937224 0.062776 0.000000 Cu\n0.062776 0.937224 0.000000 Cu\n0.787297 0.212703 0.000000 Cu\n0.212703 0.787297 0.000000 Cu\n0.854074 0.145926 0.000000 O\n0.145926 0.854074 0.000000 O\n0.554407 0.445593 0.000000 O\n0.445593 0.554407 0.000000 O\n0.719185 0.280815 0.000000 O\n0.280815 0.719185 0.000000 O\n0.945080 0.054920 0.500000 O\n0.054920 0.945080 0.500000 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Ba",
                "Eu",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-Eu-O",
            "density": 6.376815622180337,
            "density_atomic": 0.07122072373137774,
            "volume": 210.61285555838077,
            "volume_molar": 8.455601746920783,
            "formula_full": "Ba2 Eu1 Cu4 O8",
            "formula_reduced": "Ba2Eu(CuO2)4",
            "formula_anonymous": "AB2C4D8",
            "energy": -99.16342595,
            "energy_per_atom": -6.610895063333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.66742595,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.2348337,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.085000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-774238",
            "created_at": "2022-09-04T14:46:14.277198Z",
            "structure_string": "Li4 Nb1 Fe3 O12\n1.0\n8.251584 0.000000 0.000000\n0.000000 4.944012 0.000000\n0.000000 0.087610 5.022409\nLi Nb Fe O\n4 1 3 12\ndirect\n0.703659 0.000000 0.000000 Li\n0.805131 0.500000 0.000000 Li\n0.326648 0.000000 0.500000 Li\n0.205334 0.500000 0.500000 Li\n0.108239 0.000000 0.000000 Nb\n0.420998 0.500000 0.000000 Fe\n0.907088 0.000000 0.500000 Fe\n0.605604 0.500000 0.500000 Fe\n0.262134 0.259676 0.146186 O\n0.588801 0.305770 0.181958 O\n0.915016 0.192750 0.181878 O\n0.432559 0.695567 0.316638 O\n0.079577 0.793547 0.339229 O\n0.751103 0.753755 0.346236 O\n0.751103 0.246245 0.653764 O\n0.079577 0.206453 0.660771 O\n0.432559 0.304433 0.683362 O\n0.915016 0.807250 0.818122 O\n0.588801 0.694230 0.818042 O\n0.262134 0.740324 0.853814 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Li",
                "Nb",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Li-Nb-O",
            "density": 3.8917119622087815,
            "density_atomic": 0.0976115204847141,
            "volume": 204.89384757746896,
            "volume_molar": 6.169497954847516,
            "formula_full": "Li4 Nb1 Fe3 O12",
            "formula_reduced": "Li4Nb(FeO4)3",
            "formula_anonymous": "AB3C4D12",
            "energy": -137.83093474999998,
            "energy_per_atom": -6.891546737499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -122.81893475,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.006814,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.795000Z",
            "spacegroup": 3
        },
        {
            "id": "mp-704975",
            "created_at": "2022-09-04T14:46:11.776293Z",
            "structure_string": "Cs10 Ce2 Ni4 N24 O48\n1.0\n11.306797 0.000000 0.000000\n0.000000 11.306797 0.000000\n0.000000 0.000000 11.306797\nCs Ce Ni N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 Cs\n0.250000 0.750000 0.250000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.500000 0.000000 Cs\n0.750000 0.250000 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.257842 0.256692 0.435242 N\n0.564758 0.742158 0.256692 N\n0.435242 0.742158 0.743308 N\n0.256692 0.564758 0.742158 N\n0.742158 0.743308 0.435242 N\n0.756692 0.064758 0.757842 N\n0.064758 0.757842 0.756692 N\n0.564758 0.257842 0.743308 N\n0.256692 0.435242 0.257842 N\n0.757842 0.243308 0.935242 N\n0.743308 0.564758 0.257842 N\n0.242158 0.243308 0.064758 N\n0.257842 0.743308 0.564758 N\n0.756692 0.935242 0.242158 N\n0.435242 0.257842 0.256692 N\n0.243308 0.935242 0.757842 N\n0.243308 0.064758 0.242158 N\n0.935242 0.757842 0.243308 N\n0.743308 0.435242 0.742158 N\n0.742158 0.256692 0.564758 N\n0.242158 0.756692 0.935242 N\n0.757842 0.756692 0.064758 N\n0.935242 0.242158 0.756692 N\n0.064758 0.242158 0.243308 N\n0.253443 0.990450 0.662176 O\n0.753443 0.490450 0.837824 O\n0.162176 0.753443 0.509550 O\n0.009550 0.337824 0.253443 O\n0.662176 0.253443 0.990450 O\n0.992990 0.851353 0.216736 O\n0.148647 0.216736 0.007010 O\n0.716736 0.507010 0.351353 O\n0.337824 0.746557 0.990450 O\n0.783264 0.992990 0.148647 O\n0.837824 0.753443 0.490450 O\n0.148647 0.783264 0.992990 O\n0.509550 0.162176 0.753443 O\n0.648647 0.716736 0.492990 O\n0.783264 0.007010 0.851353 O\n0.662176 0.746557 0.009550 O\n0.648647 0.283264 0.507010 O\n0.990450 0.662176 0.253443 O\n0.837824 0.246557 0.509550 O\n0.851353 0.783264 0.007010 O\n0.283264 0.507010 0.648647 O\n0.990450 0.337824 0.746557 O\n0.992990 0.148647 0.783264 O\n0.509550 0.837824 0.246557 O\n0.753443 0.509550 0.162176 O\n0.007010 0.148647 0.216736 O\n0.162176 0.246557 0.490450 O\n0.746557 0.990450 0.337824 O\n0.337824 0.253443 0.009550 O\n0.283264 0.492990 0.351353 O\n0.507010 0.351353 0.716736 O\n0.351353 0.716736 0.507010 O\n0.009550 0.662176 0.746557 O\n0.492990 0.648647 0.716736 O\n0.490450 0.837824 0.753443 O\n0.253443 0.009550 0.337824 O\n0.507010 0.648647 0.283264 O\n0.490450 0.162176 0.246557 O\n0.746557 0.009550 0.662176 O\n0.246557 0.509550 0.837824 O\n0.851353 0.216736 0.992990 O\n0.007010 0.851353 0.783264 O\n0.216736 0.007010 0.148647 O\n0.351353 0.283264 0.492990 O\n0.246557 0.490450 0.162176 O\n0.716736 0.492990 0.648647 O\n0.492990 0.351353 0.283264 O\n0.216736 0.992990 0.851353 O\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "Cs",
                "Ce",
                "Ni",
                "N",
                "O"
            ],
            "chemical_system": "Ce-Cs-N-Ni-O",
            "density": 3.386773035420328,
            "density_atomic": 0.060878492141099624,
            "volume": 1445.502293257201,
            "volume_molar": 9.892066226020072,
            "formula_full": "Cs10 Ce2 Ni4 N24 O48",
            "formula_reduced": "Cs5CeNi2(NO2)12",
            "formula_anonymous": "AB2C5D12E24",
            "energy": -576.87628438,
            "energy_per_atom": -6.5554123225000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -533.73628438,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.1245638,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.118000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1223954",
            "created_at": "2022-09-04T14:46:13.676030Z",
            "structure_string": "Ho2 Fe2 Ni2\n1.0\n-2.374141 2.544500 3.706788\n2.374141 -2.544500 3.706788\n2.374141 2.544500 -3.706788\nHo Fe Ni\n2 2 2\ndirect\n0.129648 0.879648 0.250000 Ho\n0.870352 0.120352 0.750000 Ho\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ho",
                "Fe",
                "Ni"
            ],
            "chemical_system": "Fe-Ho-Ni",
            "density": 10.362047908655777,
            "density_atomic": 0.06698607746443332,
            "volume": 89.57085154278123,
            "volume_molar": 8.990137933061527,
            "formula_full": "Ho2 Fe2 Ni2",
            "formula_reduced": "HoFeNi",
            "formula_anonymous": "ABC",
            "energy": -39.00060487,
            "energy_per_atom": -6.500100811666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.00060487,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9444553,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.376000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1235061",
            "created_at": "2022-09-04T14:46:13.678160Z",
            "structure_string": "Li1 Si6 O12\n1.0\n4.755465 -0.020342 1.660230\n1.877070 7.097192 2.147961\n-0.044521 -0.031575 7.652511\nLi Si O\n1 6 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.411342 0.339801 0.340819 Si\n0.069626 0.182811 0.175729 Si\n0.588658 0.660199 0.659181 Si\n0.930374 0.817189 0.824271 Si\n0.991617 0.255521 0.741563 Si\n0.008383 0.744479 0.258437 Si\n0.714774 0.432395 0.716105 O\n0.910499 0.049958 0.771348 O\n0.285226 0.567605 0.283895 O\n0.089501 0.950042 0.228652 O\n0.275910 0.267112 0.565168 O\n0.067736 0.237008 0.946389 O\n0.235561 0.704433 0.699239 O\n0.657075 0.772576 0.790150 O\n0.764439 0.295567 0.300761 O\n0.342925 0.227424 0.209850 O\n0.932264 0.762992 0.053611 O\n0.724090 0.732888 0.434832 O\n",
            "nsites": 19,
            "nelements": 3,
            "elements": [
                "Li",
                "Si",
                "O"
            ],
            "chemical_system": "Li-O-Si",
            "density": 2.352935425662155,
            "density_atomic": 0.07326896258480696,
            "volume": 259.318534475058,
            "volume_molar": 8.219224822556379,
            "formula_full": "Li1 Si6 O12",
            "formula_reduced": "Li(SiO2)6",
            "formula_anonymous": "AB6C12",
            "energy": -149.31446754,
            "energy_per_atom": -7.85865618631579,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -141.07046754,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.8e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.978000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1100665",
            "created_at": "2022-09-04T14:46:13.699663Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.448252 7.697350 0.000000\n-1.448252 7.697350 0.000000\n0.000000 0.454492 12.943889\nLi Mn Co O\n9 2 5 16\ndirect\n0.436671 0.436671 0.199186 Li\n0.308480 0.308480 0.547649 Li\n0.194317 0.194317 0.940634 Li\n0.057842 0.057842 0.316755 Li\n0.937750 0.937750 0.683438 Li\n0.806730 0.806730 0.068693 Li\n0.690255 0.690255 0.430463 Li\n0.561299 0.561299 0.808778 Li\n0.875382 0.875382 0.371436 Li\n0.003024 0.003024 0.001916 Mn\n0.494775 0.494775 0.494465 Mn\n0.750786 0.750786 0.748548 Co\n0.630357 0.630357 0.137215 Co\n0.373431 0.373431 0.876441 Co\n0.258800 0.258800 0.258864 Co\n0.126484 0.126484 0.621436 Co\n0.420044 0.420044 0.026499 O\n0.275495 0.275495 0.395412 O\n0.166886 0.166886 0.772340 O\n0.034147 0.034147 0.143911 O\n0.914929 0.914929 0.528616 O\n0.786560 0.786560 0.907230 O\n0.655216 0.655216 0.274604 O\n0.534544 0.534544 0.647694 O\n0.470762 0.470762 0.356789 O\n0.334594 0.334594 0.726507 O\n0.213923 0.213923 0.099477 O\n0.080457 0.080457 0.474965 O\n0.968485 0.968485 0.855346 O\n0.838789 0.838789 0.217810 O\n0.713221 0.713221 0.591633 O\n0.585565 0.585565 0.975250 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.1601417400303635,
            "density_atomic": 0.11088424181235956,
            "volume": 288.58924836363144,
            "volume_molar": 5.431015860838714,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -208.06045464,
            "energy_per_atom": -6.5018892075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.54245464,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0000612,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.089000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-756955",
            "created_at": "2022-09-04T14:46:10.813103Z",
            "structure_string": "Li6 Fe6 O16\n1.0\n2.930665 -5.076060 0.000000\n2.930665 5.076060 0.000000\n0.000000 0.000000 9.906651\nLi Fe O\n6 6 16\ndirect\n0.333333 0.666667 0.499565 Li\n0.333333 0.666667 0.888112 Li\n0.000000 0.000000 0.000707 Li\n0.000000 0.000000 0.500707 Li\n0.666667 0.333333 0.999565 Li\n0.666667 0.333333 0.388112 Li\n0.168564 0.831436 0.215218 Fe\n0.168564 0.337127 0.215218 Fe\n0.662873 0.831436 0.215218 Fe\n0.337127 0.168564 0.715218 Fe\n0.831436 0.662873 0.715218 Fe\n0.831436 0.168564 0.715218 Fe\n0.154105 0.845895 0.612758 O\n0.034236 0.517118 0.320639 O\n0.333333 0.666667 0.100080 O\n0.000000 0.000000 0.319914 O\n0.000000 0.000000 0.819914 O\n0.154105 0.308211 0.612758 O\n0.482882 0.965764 0.320639 O\n0.482882 0.517118 0.320639 O\n0.308211 0.154105 0.112758 O\n0.691789 0.845895 0.612758 O\n0.517118 0.482882 0.820639 O\n0.517118 0.034236 0.820639 O\n0.666667 0.333333 0.600080 O\n0.845895 0.691789 0.112758 O\n0.965764 0.482882 0.820639 O\n0.845895 0.154105 0.112758 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Li",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Li-O",
            "density": 3.5645239831471542,
            "density_atomic": 0.09499664061200185,
            "volume": 294.74726495183546,
            "volume_molar": 6.339319707732027,
            "formula_full": "Li6 Fe6 O16",
            "formula_reduced": "Li3Fe3O8",
            "formula_anonymous": "A3B3C8",
            "energy": -185.24147997,
            "energy_per_atom": -6.615767141785715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.71347997,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 22.030354,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:25.052000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1209200",
            "created_at": "2022-09-04T14:46:17.813764Z",
            "structure_string": "Re4 H8 N4 O8\n1.0\n6.173353 0.000000 0.000000\n0.000000 6.173353 0.000000\n-3.086677 -3.086677 6.875827\nRe H N O\n4 8 4 8\ndirect\n0.125000 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.125000 0.875000 0.750000 Re\n0.625000 0.875000 0.750000 Re\n0.647721 0.738984 0.144636 H\n0.496915 0.405651 0.144636 H\n0.655651 0.397721 0.644636 H\n0.602279 0.011016 0.355364 H\n0.988984 0.246915 0.644636 H\n0.753085 0.344349 0.355364 H\n0.594349 0.352279 0.855364 H\n0.261016 0.503085 0.855364 H\n0.625000 0.875000 0.250000 N\n0.625000 0.375000 0.250000 N\n0.625000 0.375000 0.750000 N\n0.125000 0.375000 0.750000 N\n0.337450 0.156884 0.307675 O\n0.970225 0.150791 0.307675 O\n0.400791 0.087450 0.807675 O\n0.912550 0.593116 0.192325 O\n0.406884 0.720225 0.807675 O\n0.279775 0.599209 0.192325 O\n0.849209 0.662550 0.692325 O\n0.843116 0.029775 0.692325 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Re",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O-Re",
            "density": 5.9371967369986525,
            "density_atomic": 0.09158916049978562,
            "volume": 262.0397421380031,
            "volume_molar": 6.575167549454823,
            "formula_full": "Re4 H8 N4 O8",
            "formula_reduced": "ReH2NO2",
            "formula_anonymous": "ABC2D2",
            "energy": -147.48633732,
            "energy_per_atom": -6.145264054999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -140.54633732,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0110192,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.497000Z",
            "spacegroup": 88
        }
    ]
}