GET /third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10414
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=-decomposes_to&page=10415",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10413",
    "results": [
        {
            "id": "mp-581330",
            "created_at": "2022-09-04T14:46:19.283940Z",
            "structure_string": "Cs8 Ca16 Nb24 O80\n1.0\n7.825225 0.000000 0.000000\n0.000000 7.834523 0.000000\n0.000000 0.000000 31.031406\nCs Ca Nb O\n8 16 24 80\ndirect\n0.737382 0.750000 0.745754 Cs\n0.253365 0.750000 0.254845 Cs\n0.237382 0.250000 0.754246 Cs\n0.246635 0.750000 0.754845 Cs\n0.262618 0.250000 0.254246 Cs\n0.762618 0.750000 0.245754 Cs\n0.753365 0.250000 0.245155 Cs\n0.746635 0.250000 0.745155 Cs\n0.261991 0.750000 0.424235 Ca\n0.761991 0.250000 0.075765 Ca\n0.276121 0.750000 0.569451 Ca\n0.257368 0.250000 0.931847 Ca\n0.715974 0.750000 0.926666 Ca\n0.742632 0.750000 0.068153 Ca\n0.284026 0.250000 0.073334 Ca\n0.238009 0.750000 0.924235 Ca\n0.784026 0.750000 0.426666 Ca\n0.757368 0.750000 0.568153 Ca\n0.723879 0.250000 0.430549 Ca\n0.215974 0.250000 0.573334 Ca\n0.242632 0.250000 0.431847 Ca\n0.776121 0.250000 0.930549 Ca\n0.223879 0.750000 0.069451 Ca\n0.738009 0.250000 0.575765 Ca\n0.500000 0.500000 0.500000 Nb\n0.488894 0.497091 0.639398 Nb\n0.496719 0.004122 0.860486 Nb\n0.511106 0.502909 0.360602 Nb\n0.500000 0.500000 0.000000 Nb\n0.988894 0.502909 0.860602 Nb\n0.011106 0.497091 0.139398 Nb\n0.503281 0.995878 0.139514 Nb\n0.011106 0.002909 0.139398 Nb\n0.000000 0.000000 0.500000 Nb\n0.511106 0.997091 0.360602 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.996719 0.995878 0.639514 Nb\n0.003281 0.495878 0.360486 Nb\n0.488894 0.002909 0.639398 Nb\n0.988894 0.997091 0.860602 Nb\n0.503281 0.504122 0.139514 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.496719 0.495878 0.860486 Nb\n0.996719 0.504122 0.639514 Nb\n0.003281 0.004122 0.360486 Nb\n0.500000 0.000000 0.500000 Nb\n0.982684 0.026782 0.303175 O\n0.257418 0.988904 0.117107 O\n0.742582 0.488904 0.882893 O\n0.257042 0.983005 0.366928 O\n0.749798 0.560181 0.488944 O\n0.452470 0.547487 0.938935 O\n0.071256 0.750000 0.990908 O\n0.968797 0.547920 0.061714 O\n0.021939 0.250000 0.117169 O\n0.047530 0.952513 0.438935 O\n0.250202 0.439819 0.511056 O\n0.047530 0.547487 0.438935 O\n0.517316 0.026782 0.803175 O\n0.465494 0.026643 0.696652 O\n0.996744 0.250000 0.865476 O\n0.257418 0.511096 0.117107 O\n0.952470 0.452513 0.561065 O\n0.742958 0.483005 0.633072 O\n0.017817 0.250000 0.381407 O\n0.484645 0.250000 0.133576 O\n0.249798 0.439819 0.011056 O\n0.017316 0.973218 0.696825 O\n0.928744 0.250000 0.009092 O\n0.034506 0.473357 0.196652 O\n0.547530 0.047487 0.061065 O\n0.531203 0.952080 0.561714 O\n0.478061 0.250000 0.617169 O\n0.965494 0.973357 0.803348 O\n0.952470 0.047487 0.561065 O\n0.757042 0.016995 0.133072 O\n0.034506 0.026643 0.196652 O\n0.750202 0.939819 0.988944 O\n0.503256 0.250000 0.365476 O\n0.496744 0.750000 0.634524 O\n0.482183 0.250000 0.881407 O\n0.742582 0.011096 0.882893 O\n0.757042 0.483005 0.133072 O\n0.547530 0.452513 0.061065 O\n0.457674 0.750000 0.016693 O\n0.465494 0.473357 0.696652 O\n0.542326 0.250000 0.983307 O\n0.003256 0.750000 0.134524 O\n0.984645 0.750000 0.366424 O\n0.242958 0.983005 0.866928 O\n0.017316 0.526782 0.696825 O\n0.757418 0.488904 0.382893 O\n0.015355 0.250000 0.633576 O\n0.978061 0.750000 0.882831 O\n0.534506 0.526643 0.303348 O\n0.982183 0.750000 0.618593 O\n0.242582 0.511096 0.617107 O\n0.482684 0.526782 0.196825 O\n0.031203 0.047920 0.938286 O\n0.749798 0.939819 0.488944 O\n0.468797 0.047920 0.438286 O\n0.249798 0.060181 0.011056 O\n0.515355 0.750000 0.866424 O\n0.742958 0.016995 0.633072 O\n0.257042 0.516995 0.366928 O\n0.468797 0.452080 0.438286 O\n0.042326 0.750000 0.516693 O\n0.482684 0.973218 0.196825 O\n0.242958 0.516995 0.866928 O\n0.521939 0.750000 0.382831 O\n0.757418 0.011096 0.382893 O\n0.957674 0.250000 0.483307 O\n0.982684 0.473218 0.303175 O\n0.250202 0.060181 0.511056 O\n0.571256 0.250000 0.509092 O\n0.517316 0.473218 0.803175 O\n0.968797 0.952080 0.061714 O\n0.531203 0.547920 0.561714 O\n0.517817 0.750000 0.118593 O\n0.750202 0.560181 0.988944 O\n0.534506 0.973357 0.303348 O\n0.452470 0.952513 0.938935 O\n0.242582 0.988904 0.617107 O\n0.965494 0.526643 0.803348 O\n0.428744 0.750000 0.490908 O\n0.031203 0.452080 0.938286 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ca",
                "Nb",
                "O"
            ],
            "chemical_system": "Ca-Cs-Nb-O",
            "density": 4.551197306966774,
            "density_atomic": 0.06728203562194354,
            "volume": 1902.4394671889763,
            "volume_molar": 8.950592389680795,
            "formula_full": "Cs8 Ca16 Nb24 O80",
            "formula_reduced": "CsCa2Nb3O10",
            "formula_anonymous": "AB2C3D10",
            "energy": -1081.50153188,
            "energy_per_atom": -8.4492307178125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1026.54153188,
            "band_gap": 2.0693,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0633713,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:27.530000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1111042",
            "created_at": "2022-09-04T14:46:19.337665Z",
            "structure_string": "Na2 Tm1 Cu1 Cl6\n1.0\n0.000000 5.084488 5.084488\n5.084488 0.000000 5.084488\n5.084488 5.084488 0.000000\nNa Tm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Cu\n0.746371 0.253629 0.253629 Cl\n0.253629 0.253629 0.746371 Cl\n0.253629 0.746371 0.746371 Cl\n0.253629 0.746371 0.253629 Cl\n0.746371 0.253629 0.746371 Cl\n0.746371 0.746371 0.253629 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Na",
                "Tm",
                "Cu",
                "Cl"
            ],
            "chemical_system": "Cl-Cu-Na-Tm",
            "density": 3.102530830187937,
            "density_atomic": 0.038038932815796775,
            "volume": 262.88855285254505,
            "volume_molar": 15.83151869470726,
            "formula_full": "Na2 Tm1 Cu1 Cl6",
            "formula_reduced": "Na2TmCuCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -41.60224282,
            "energy_per_atom": -4.160224282,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.91824282,
            "band_gap": 1.7455,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001241,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:18.585000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1042561",
            "created_at": "2022-09-04T14:46:19.251871Z",
            "structure_string": "Ca4 Sn6 O16\n1.0\n3.241719 -5.614822 0.000000\n3.241719 5.614822 0.000000\n0.000000 0.000000 10.532578\nCa Sn O\n4 6 16\ndirect\n0.666667 0.333333 0.030723 Ca\n0.333333 0.666667 0.530723 Ca\n0.666667 0.333333 0.408719 Ca\n0.333333 0.666667 0.908719 Ca\n0.670597 0.835298 0.245642 Sn\n0.835298 0.164702 0.745642 Sn\n0.164702 0.329403 0.245642 Sn\n0.835298 0.670597 0.745642 Sn\n0.329403 0.164702 0.745642 Sn\n0.164702 0.835298 0.245642 Sn\n0.837018 0.162982 0.154014 O\n0.674036 0.837018 0.654014 O\n0.162982 0.325964 0.654014 O\n0.837018 0.674036 0.154014 O\n0.325964 0.162982 0.154014 O\n0.162982 0.837018 0.654014 O\n0.524129 0.475871 0.856484 O\n0.048258 0.524129 0.356484 O\n0.475871 0.951742 0.356484 O\n0.524129 0.048258 0.856484 O\n0.000000 0.000000 0.350244 O\n0.000000 0.000000 0.850244 O\n0.333333 0.666667 0.135397 O\n0.951742 0.475871 0.856484 O\n0.475871 0.524129 0.356484 O\n0.666667 0.333333 0.635397 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Ca",
                "Sn",
                "O"
            ],
            "chemical_system": "Ca-O-Sn",
            "density": 4.887633528421563,
            "density_atomic": 0.06781055656667002,
            "volume": 383.421126686039,
            "volume_molar": 8.880830751004304,
            "formula_full": "Ca4 Sn6 O16",
            "formula_reduced": "Ca2Sn3O8",
            "formula_anonymous": "A2B3C8",
            "energy": -176.28436709,
            "energy_per_atom": -6.7801679649999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -165.29236709,
            "band_gap": 2.0574,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001898,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.655000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1224319",
            "created_at": "2022-09-04T14:46:19.281445Z",
            "structure_string": "Ge1 As3\n1.0\n7.398228 -1.885090 0.000000\n7.398228 1.885090 0.000000\n6.917901 0.000000 3.229548\nGe As\n1 3\ndirect\n0.611227 0.611227 0.611227 Ge\n0.113269 0.113269 0.113269 As\n0.890194 0.890194 0.890194 As\n0.385311 0.385311 0.385311 As\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ge",
                "As"
            ],
            "chemical_system": "As-Ge",
            "density": 5.482334507297581,
            "density_atomic": 0.04440464996901286,
            "volume": 90.08065603019823,
            "volume_molar": 13.561959759174915,
            "formula_full": "Ge1 As3",
            "formula_reduced": "GeAs3",
            "formula_anonymous": "AB3",
            "energy": -18.34523822,
            "energy_per_atom": -4.586309555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.34523822,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.010361,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.375000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1078893",
            "created_at": "2022-09-04T14:46:19.281172Z",
            "structure_string": "La2 Ti1 Co1 O6\n1.0\n0.000000 3.946678 3.946678\n3.946678 0.000000 3.946678\n3.946678 3.946678 0.000000\nLa Ti Co O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n0.244300 0.755700 0.244300 O\n0.244300 0.755700 0.755700 O\n0.755700 0.244300 0.755700 O\n0.755700 0.244300 0.244300 O\n0.755700 0.755700 0.244300 O\n0.244300 0.244300 0.755700 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "La",
                "Ti",
                "Co",
                "O"
            ],
            "chemical_system": "Co-La-O-Ti",
            "density": 6.491044594874903,
            "density_atomic": 0.0813345222381553,
            "volume": 122.94902244238972,
            "volume_molar": 7.404163194524699,
            "formula_full": "La2 Ti1 Co1 O6",
            "formula_reduced": "La2TiCoO6",
            "formula_anonymous": "ABC2D6",
            "energy": -85.98985667000001,
            "energy_per_atom": -8.598985667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.22985667,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9973855,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.531000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-865714",
            "created_at": "2022-09-04T14:46:19.285106Z",
            "structure_string": "Li2 Hg1 Au1\n1.0\n0.000000 3.228980 3.228980\n3.228980 0.000000 3.228980\n3.228980 3.228980 0.000000\nLi Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Au\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Hg",
                "Au"
            ],
            "chemical_system": "Au-Hg-Li",
            "density": 10.146775170100113,
            "density_atomic": 0.05940649512178574,
            "volume": 67.33270481282959,
            "volume_molar": 10.137175653359732,
            "formula_full": "Li2 Hg1 Au1",
            "formula_reduced": "Li2HgAu",
            "formula_anonymous": "ABC2",
            "energy": -9.23246309,
            "energy_per_atom": -2.3081157725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.23246309,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013485,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.422000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1047596",
            "created_at": "2022-09-04T14:46:19.359801Z",
            "structure_string": "Zn4 Bi8 O16\n1.0\n3.400661 0.000000 0.000000\n0.000000 10.694829 0.000000\n0.000000 0.000000 11.478749\nZn Bi O\n4 8 16\ndirect\n0.857626 0.358221 0.750000 Zn\n0.857626 0.141779 0.250000 Zn\n0.142374 0.858221 0.750000 Zn\n0.142374 0.641779 0.250000 Zn\n0.671190 0.122221 0.912623 Bi\n0.671190 0.377779 0.412623 Bi\n0.328810 0.877779 0.412623 Bi\n0.671190 0.377779 0.087377 Bi\n0.328810 0.877779 0.087377 Bi\n0.671190 0.122221 0.587377 Bi\n0.328810 0.622221 0.587377 Bi\n0.328810 0.622221 0.912623 Bi\n0.240441 0.965015 0.603655 O\n0.759559 0.034985 0.396345 O\n0.243692 0.250000 0.500000 O\n0.759559 0.465015 0.603655 O\n0.759559 0.465015 0.896345 O\n0.360427 0.253094 0.250000 O\n0.240441 0.534985 0.396345 O\n0.639573 0.753094 0.250000 O\n0.243692 0.250000 0.000000 O\n0.756308 0.750000 0.500000 O\n0.240441 0.965015 0.896345 O\n0.639573 0.746906 0.750000 O\n0.360427 0.246906 0.750000 O\n0.756308 0.750000 0.000000 O\n0.240441 0.534985 0.103655 O\n0.759559 0.034985 0.103655 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Zn",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Zn",
            "density": 8.708758987052098,
            "density_atomic": 0.06706968799776299,
            "volume": 417.4762226556638,
            "volume_molar": 8.978930631376816,
            "formula_full": "Zn4 Bi8 O16",
            "formula_reduced": "Zn(BiO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -157.34550414999998,
            "energy_per_atom": -5.619482291071428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -146.35350415,
            "band_gap": 1.1669,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.82e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.609000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-650026",
            "created_at": "2022-09-04T14:46:19.362659Z",
            "structure_string": "Pr4 In8 Cl20\n1.0\n8.233561 0.000000 0.000000\n0.000000 8.896030 0.000000\n0.000000 0.000000 13.008818\nPr In Cl\n4 8 20\ndirect\n0.925411 0.750000 0.505919 Pr\n0.574589 0.750000 0.005919 Pr\n0.074589 0.250000 0.494081 Pr\n0.425411 0.250000 0.994081 Pr\n0.942379 0.008724 0.830289 In\n0.057621 0.991276 0.169711 In\n0.557621 0.491276 0.330289 In\n0.057621 0.508724 0.169711 In\n0.942379 0.491276 0.830289 In\n0.442379 0.508724 0.669711 In\n0.557621 0.008724 0.330289 In\n0.442379 0.991276 0.669711 In\n0.580616 0.750000 0.506885 Cl\n0.168169 0.955868 0.429305 Cl\n0.831831 0.044132 0.570695 Cl\n0.331831 0.544132 0.929305 Cl\n0.168169 0.544132 0.429305 Cl\n0.345735 0.250000 0.204748 Cl\n0.331831 0.955868 0.929305 Cl\n0.831831 0.455868 0.570695 Cl\n0.391796 0.750000 0.187196 Cl\n0.668169 0.044132 0.070695 Cl\n0.154265 0.250000 0.704748 Cl\n0.608204 0.250000 0.812804 Cl\n0.419384 0.250000 0.493115 Cl\n0.108204 0.750000 0.687196 Cl\n0.668169 0.455868 0.070695 Cl\n0.080616 0.250000 0.993115 Cl\n0.919384 0.750000 0.006885 Cl\n0.845735 0.750000 0.295252 Cl\n0.654265 0.750000 0.795252 Cl\n0.891796 0.250000 0.312804 Cl\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Pr",
                "In",
                "Cl"
            ],
            "chemical_system": "Cl-In-Pr",
            "density": 3.8187057083761706,
            "density_atomic": 0.033583673138135386,
            "volume": 952.8439568947248,
            "volume_molar": 17.93175134604814,
            "formula_full": "Pr4 In8 Cl20",
            "formula_reduced": "PrIn2Cl5",
            "formula_anonymous": "AB2C5",
            "energy": -140.60220344,
            "energy_per_atom": -4.3938188575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.32220344,
            "band_gap": 2.6379,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.42e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.995000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-7942",
            "created_at": "2022-09-04T14:46:19.424333Z",
            "structure_string": "Na1 Ti1 S2\n1.0\n6.768398 -1.788177 0.000000\n6.768398 1.788177 0.000000\n6.295970 0.000000 3.060971\nNa Ti S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.736981 0.736981 0.736981 S\n0.263019 0.263019 0.263019 S\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Na",
                "Ti",
                "S"
            ],
            "chemical_system": "Na-S-Ti",
            "density": 3.025204215795323,
            "density_atomic": 0.05398515934186429,
            "volume": 74.09443722615984,
            "volume_molar": 11.155178262722963,
            "formula_full": "Na1 Ti1 S2",
            "formula_reduced": "NaTiS2",
            "formula_anonymous": "ABC2",
            "energy": -23.88115941,
            "energy_per_atom": -5.9702898525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.87515941,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9794582,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:28.056000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1229315",
            "created_at": "2022-09-04T14:46:19.466206Z",
            "structure_string": "Ce8 Gd8 O28\n1.0\n5.512472 7.785468 0.000000\n-5.512472 7.785468 0.000000\n0.000000 7.784792 7.807630\nCe Gd O\n8 8 28\ndirect\n0.747092 0.750708 0.227886 Ce\n0.023931 0.522377 0.475979 Ce\n0.771919 0.228081 0.500000 Ce\n0.249292 0.252908 0.772114 Ce\n0.477623 0.976069 0.524021 Ce\n0.725668 0.274332 0.000000 Ce\n0.024539 0.999509 0.250025 Ce\n0.000491 0.975461 0.749975 Ce\n0.745671 0.748649 0.753725 Gd\n0.500196 0.998863 0.001037 Gd\n0.251917 0.748083 0.500000 Gd\n0.251351 0.254329 0.246275 Gd\n0.001137 0.499804 0.998963 Gd\n0.253224 0.746776 0.000000 Gd\n0.475996 0.499259 0.774256 Gd\n0.500741 0.524004 0.225744 Gd\n0.492157 0.748945 0.750395 O\n0.498429 0.258422 0.000855 O\n0.249235 0.494094 0.757592 O\n0.251055 0.507843 0.249605 O\n0.741578 0.501571 0.999145 O\n0.505906 0.750765 0.242408 O\n0.009859 0.756902 0.487437 O\n0.003033 0.237654 0.255264 O\n0.245957 0.006552 0.007089 O\n0.243098 0.990141 0.512563 O\n0.762346 0.996967 0.744736 O\n0.993448 0.754043 0.992911 O\n0.519241 0.263370 0.710036 O\n0.538043 0.756747 0.475437 O\n0.776733 0.479821 0.728995 O\n0.736630 0.480759 0.289964 O\n0.243253 0.461957 0.524563 O\n0.520179 0.223267 0.271005 O\n0.982266 0.231695 0.998464 O\n0.960341 0.748010 0.269930 O\n0.730503 0.020558 0.482668 O\n0.768305 0.017734 0.001536 O\n0.251990 0.039659 0.730070 O\n0.979442 0.269497 0.517332 O\n0.239858 0.500223 0.009085 O\n0.499777 0.760142 0.990915 O\n0.253971 0.999969 0.250960 O\n0.000031 0.746029 0.749040 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Ce",
                "Gd",
                "O"
            ],
            "chemical_system": "Ce-Gd-O",
            "density": 7.004561030404585,
            "density_atomic": 0.06565568490705027,
            "volume": 670.1628360482638,
            "volume_molar": 9.172306660916925,
            "formula_full": "Ce8 Gd8 O28",
            "formula_reduced": "Ce2Gd2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -468.18294717,
            "energy_per_atom": -10.64052152659091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -448.94694717,
            "band_gap": 1.4320999999999997,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 56.0000003,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:21.138000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1094572",
            "created_at": "2022-09-04T14:46:19.520464Z",
            "structure_string": "Mg4 Sb2\n1.0\n2.891875 -4.606335 0.000000\n2.891875 4.606335 0.000000\n0.000000 0.000000 5.434042\nMg Sb\n4 2\ndirect\n0.023925 0.347936 0.750000 Mg\n0.347936 0.023925 0.750000 Mg\n0.652064 0.976075 0.250000 Mg\n0.976075 0.652064 0.250000 Mg\n0.705159 0.705159 0.750000 Sb\n0.294841 0.294841 0.250000 Sb\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "Sb"
            ],
            "chemical_system": "Mg-Sb",
            "density": 3.908266715268234,
            "density_atomic": 0.04144414913735117,
            "volume": 144.77314952504486,
            "volume_molar": 14.530738078472456,
            "formula_full": "Mg4 Sb2",
            "formula_reduced": "Mg2Sb",
            "formula_anonymous": "AB2",
            "energy": -15.552138040000004,
            "energy_per_atom": -2.5920230066666674,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.168138040000002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005406,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.091000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1223097",
            "created_at": "2022-09-04T14:46:19.294732Z",
            "structure_string": "Li16 H8 N8\n1.0\n-3.552708 3.560033 5.089536\n3.552708 -3.560033 5.089536\n3.552708 3.560033 -5.089536\nLi H N\n16 8 8\ndirect\n0.855972 0.114427 0.758455 Li\n0.144028 0.902483 0.258455 Li\n0.629749 0.885247 0.755498 Li\n0.132167 0.384610 0.752443 Li\n0.121378 0.354616 0.244394 Li\n0.604941 0.884275 0.260421 Li\n0.123854 0.884275 0.779334 Li\n0.610223 0.354616 0.733238 Li\n0.370251 0.125749 0.255498 Li\n0.867833 0.620276 0.252443 Li\n0.876146 0.655480 0.760421 Li\n0.389777 0.123016 0.744394 Li\n0.878622 0.123016 0.233238 Li\n0.395059 0.655480 0.279334 Li\n0.993984 0.003006 0.509022 Li\n0.006016 0.515037 0.009022 Li\n0.698823 0.313611 0.114788 H\n0.704031 0.598596 0.394565 H\n0.386164 0.300628 0.086566 H\n0.714062 0.300628 0.414464 H\n0.295969 0.690534 0.894565 H\n0.301177 0.415964 0.614788 H\n0.613836 0.700402 0.914464 H\n0.285938 0.700402 0.586566 H\n0.757022 0.252367 0.995345 N\n0.761065 0.776283 0.515219 N\n0.208472 0.241978 0.970541 N\n0.771437 0.241978 0.533507 N\n0.238935 0.754154 0.015219 N\n0.242978 0.238324 0.495345 N\n0.791529 0.762070 0.033507 N\n0.228563 0.762070 0.470541 N\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Li",
                "H",
                "N"
            ],
            "chemical_system": "H-Li-N",
            "density": 1.4908526180303592,
            "density_atomic": 0.12427914555181482,
            "volume": 257.4848729279239,
            "volume_molar": 4.845656713570848,
            "formula_full": "Li16 H8 N8",
            "formula_reduced": "Li2HN",
            "formula_anonymous": "ABC2",
            "energy": -142.77793621,
            "energy_per_atom": -4.4618105065625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -139.88993621,
            "band_gap": 2.7087,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002995,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.063000Z",
            "spacegroup": 46
        }
    ]
}