GET /third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12189
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12190",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12188",
    "results": [
        {
            "id": "mp-1036101",
            "created_at": "2022-09-04T14:40:06.467141Z",
            "structure_string": "Mg14 Mn1 Cr1 O16\n1.0\n8.618705 0.000000 0.000000\n0.000000 8.618705 0.000000\n0.000000 0.000000 4.247911\nMg Mn Cr O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.252350 0.000000 0.500000 Mg\n0.747650 0.000000 0.500000 Mg\n0.246187 0.500000 0.500000 Mg\n0.753813 0.500000 0.500000 Mg\n0.000000 0.252350 0.500000 Mg\n0.500000 0.246187 0.500000 Mg\n0.000000 0.747650 0.500000 Mg\n0.500000 0.753813 0.500000 Mg\n0.250272 0.250272 0.000000 Mg\n0.749728 0.250272 0.000000 Mg\n0.250272 0.749728 0.000000 Mg\n0.749728 0.749728 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Cr\n0.000000 0.256515 0.000000 O\n0.500000 0.241979 0.000000 O\n0.000000 0.743485 0.000000 O\n0.500000 0.758021 0.000000 O\n0.250335 0.250335 0.500000 O\n0.749665 0.250335 0.500000 O\n0.250335 0.749665 0.500000 O\n0.749665 0.749665 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.256515 0.000000 0.000000 O\n0.743485 0.000000 0.000000 O\n0.241979 0.500000 0.000000 O\n0.758021 0.500000 0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Mg",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Mg-Mn-O",
            "density": 3.7005403964772263,
            "density_atomic": 0.10141227776835317,
            "volume": 315.5436472208492,
            "volume_molar": 5.938275810899177,
            "formula_full": "Mg14 Mn1 Cr1 O16",
            "formula_reduced": "Mg14MnCrO16",
            "formula_anonymous": "ABC14D16",
            "energy": -212.49971047,
            "energy_per_atom": -6.6406159521875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -197.84071047,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.00894,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.710000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1219675",
            "created_at": "2022-09-04T14:40:03.153656Z",
            "structure_string": "Sc14 Cr10 Ge18\n1.0\n-9.966060 -0.041575 0.000000\n0.041575 9.966060 0.000000\n-4.962243 4.962243 -7.058978\nSc Cr Ge\n14 10 18\ndirect\n0.837454 0.837454 0.325091 Sc\n0.162546 0.162546 0.674909 Sc\n0.434907 0.686690 0.623034 Sc\n0.942059 0.690276 0.623034 Sc\n0.690276 0.942059 0.623034 Sc\n0.686690 0.434907 0.623034 Sc\n0.565093 0.313310 0.376966 Sc\n0.057941 0.309724 0.376966 Sc\n0.309724 0.057941 0.376966 Sc\n0.313310 0.565093 0.376966 Sc\n0.678233 0.321767 0.000000 Sc\n0.321767 0.678233 0.000000 Sc\n0.320162 0.320162 0.000000 Sc\n0.679838 0.679838 0.000000 Sc\n0.583266 0.903791 0.193721 Cr\n0.223013 0.902488 0.193721 Cr\n0.902488 0.223013 0.193721 Cr\n0.903791 0.583266 0.193721 Cr\n0.416734 0.096209 0.806279 Cr\n0.776987 0.097512 0.806279 Cr\n0.097512 0.776987 0.806279 Cr\n0.096209 0.416734 0.806279 Cr\n0.123112 0.123112 0.000000 Cr\n0.876888 0.876888 0.000000 Cr\n0.500691 0.874065 0.000000 Ge\n0.499309 0.125935 0.000000 Ge\n0.874065 0.500691 0.000000 Ge\n0.125935 0.499309 0.000000 Ge\n0.611109 0.611109 0.777781 Ge\n0.388891 0.388891 0.222219 Ge\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.622967 0.038496 0.338537 Ge\n0.038496 0.622967 0.338537 Ge\n0.038802 0.038802 0.327867 Ge\n0.633330 0.633330 0.327867 Ge\n0.377033 0.961504 0.661463 Ge\n0.961504 0.377033 0.661463 Ge\n0.961198 0.961198 0.672133 Ge\n0.366670 0.366670 0.672133 Ge\n0.874475 0.125525 0.000000 Ge\n0.125525 0.874475 0.000000 Ge\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "Sc",
                "Cr",
                "Ge"
            ],
            "chemical_system": "Cr-Ge-Sc",
            "density": 5.81900737758725,
            "density_atomic": 0.059905683137722786,
            "volume": 701.1020958302448,
            "volume_molar": 10.05270359100177,
            "formula_full": "Sc14 Cr10 Ge18",
            "formula_reduced": "Sc7Cr5Ge9",
            "formula_anonymous": "A5B7C9",
            "energy": -291.00469919,
            "energy_per_atom": -6.928683314047619,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -291.00469919,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.1858248,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:45.560000Z",
            "spacegroup": 69
        },
        {
            "id": "mp-1214516",
            "created_at": "2022-09-04T14:40:03.161570Z",
            "structure_string": "Ba12 Nb8 Ni4 O36\n1.0\n-2.922434 -5.061802 -0.000001\n-17.533415 10.122914 -0.000087\n-0.000027 0.000014 -7.179869\nBa Nb Ni O\n12 8 4 36\ndirect\n0.000000 0.999989 0.000002 Ba\n0.500001 0.250001 0.000016 Ba\n0.999999 0.499998 0.999983 Ba\n0.500000 0.750010 0.999998 Ba\n0.500000 0.083363 0.334864 Ba\n0.000001 0.333323 0.334829 Ba\n0.500000 0.583306 0.334855 Ba\n0.000001 0.833346 0.334859 Ba\n0.999998 0.166694 0.665145 Ba\n0.500000 0.416677 0.665173 Ba\n0.999998 0.666636 0.665136 Ba\n0.500000 0.916653 0.665140 Ba\n0.500000 0.083329 0.821367 Nb\n0.999999 0.333331 0.821424 Nb\n0.500000 0.583352 0.821325 Nb\n0.999999 0.833343 0.821257 Nb\n0.000000 0.166648 0.178676 Nb\n0.500001 0.416669 0.178578 Nb\n0.000000 0.666671 0.178632 Nb\n0.500001 0.916656 0.178742 Nb\n0.499993 0.250272 0.500271 Ni\n0.000007 0.499737 0.499725 Ni\n0.000001 0.000298 0.500189 Ni\n0.500000 0.749707 0.499814 Ni\n0.250037 0.125003 0.999984 O\n0.750000 0.375000 0.000000 O\n0.249964 0.624996 0.000017 O\n0.750000 0.875000 0.000000 O\n0.749965 0.125003 0.999983 O\n0.249999 0.375000 0.000001 O\n0.750036 0.624996 0.000017 O\n0.250000 0.874999 0.000000 O\n0.500001 0.000006 0.999987 O\n0.000000 0.250001 0.000011 O\n0.500000 0.499999 0.999989 O\n0.999999 0.749993 0.000013 O\n0.500000 0.164570 0.673637 O\n0.000002 0.414530 0.673662 O\n0.500000 0.664507 0.673676 O\n0.000001 0.914544 0.673690 O\n0.000000 0.085492 0.326325 O\n0.500000 0.335470 0.326337 O\n0.000000 0.585429 0.326364 O\n0.500000 0.835454 0.326311 O\n0.743565 0.042762 0.673675 O\n0.243539 0.292752 0.673718 O\n0.743615 0.542716 0.673655 O\n0.243632 0.792707 0.673647 O\n0.756385 0.207284 0.326344 O\n0.256460 0.457248 0.326282 O\n0.756434 0.707237 0.326323 O\n0.256369 0.957292 0.326352 O\n0.256434 0.042762 0.673676 O\n0.756460 0.292752 0.673718 O\n0.256386 0.542716 0.673655 O\n0.756368 0.792707 0.673647 O\n0.243613 0.207284 0.326344 O\n0.743540 0.457248 0.326282 O\n0.243565 0.707237 0.326324 O\n0.743631 0.957292 0.326352 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Ba",
                "Nb",
                "Ni",
                "O"
            ],
            "chemical_system": "Ba-Nb-Ni-O",
            "density": 6.257972418634224,
            "density_atomic": 0.07061945569547373,
            "volume": 849.6242205368007,
            "volume_molar": 8.527594415296495,
            "formula_full": "Ba12 Nb8 Ni4 O36",
            "formula_reduced": "Ba3Nb2NiO9",
            "formula_anonymous": "AB2C3D9",
            "energy": -485.83074985,
            "energy_per_atom": -8.097179164166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -450.93474985,
            "band_gap": 2.6808,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0002303,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:45.880000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1033359",
            "created_at": "2022-09-04T14:40:00.371198Z",
            "structure_string": "Mg6 Nb1 Bi1 O8\n1.0\n8.898220 -0.000000 0.000000\n0.000000 4.587809 0.000000\n0.000000 0.000000 4.587809\nMg Nb Bi O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267153 -0.000000 0.500000 Mg\n0.732847 0.000000 0.500000 Mg\n0.267153 0.500000 0.000000 Mg\n0.732847 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Nb\n0.000000 0.500000 0.500000 Bi\n0.264511 0.000000 0.000000 O\n0.735489 -0.000000 -0.000000 O\n0.275074 0.500000 0.500000 O\n0.724926 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Mg",
                "Nb",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-Nb-O",
            "density": 5.104351425475792,
            "density_atomic": 0.08542916972711155,
            "volume": 187.28965821755244,
            "volume_molar": 7.049279279239947,
            "formula_full": "Mg6 Nb1 Bi1 O8",
            "formula_reduced": "Mg6NbBiO8",
            "formula_anonymous": "ABC6D8",
            "energy": -99.77464916,
            "energy_per_atom": -6.2359155725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.27864916,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.555392,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.724000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-974846",
            "created_at": "2022-09-04T14:40:21.931019Z",
            "structure_string": "Rb3 Os1\n1.0\n-3.014113 3.014113 4.690623\n3.014113 -3.014113 4.690623\n3.014113 3.014113 -4.690623\nRb Os\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Os\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Rb",
                "Os"
            ],
            "chemical_system": "Os-Rb",
            "density": 4.351016341210922,
            "density_atomic": 0.023466612989433724,
            "volume": 170.454935350111,
            "volume_molar": 25.662590347876705,
            "formula_full": "Rb3 Os1",
            "formula_reduced": "Rb3Os",
            "formula_anonymous": "AB3",
            "energy": -8.52050862,
            "energy_per_atom": -2.130127155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.52050862,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.36185,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.257000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1203729",
            "created_at": "2022-09-04T14:40:03.070229Z",
            "structure_string": "Ba2 Cu1 C12 O18\n1.0\n0.101032 -0.460619 -7.757749\n-7.555382 -0.009798 3.297376\n2.876994 9.253910 3.324455\nBa Cu C O\n2 1 12 18\ndirect\n0.647020 0.276476 0.446857 Ba\n0.352980 0.723524 0.553143 Ba\n0.000000 0.000000 0.000000 Cu\n0.183898 0.434568 0.001665 C\n0.816102 0.565432 0.998335 C\n0.065776 0.431040 0.846654 C\n0.934224 0.568960 0.153346 C\n0.250704 0.613497 0.874813 C\n0.749296 0.386503 0.125187 C\n0.371958 0.622936 0.032926 C\n0.628042 0.377064 0.967074 C\n0.847370 0.967375 0.486694 C\n0.152630 0.032625 0.513306 C\n0.034655 0.139076 0.502683 C\n0.965345 0.860924 0.497317 C\n0.989258 0.986647 0.812999 O\n0.010742 0.013353 0.187001 O\n0.199328 0.041665 0.193653 O\n0.800672 0.958335 0.806347 O\n0.464954 0.496535 0.429078 O\n0.535046 0.503465 0.570922 O\n0.149690 0.330943 0.075724 O\n0.850310 0.669057 0.924276 O\n0.887642 0.321683 0.738470 O\n0.112358 0.678317 0.261530 O\n0.291546 0.714275 0.799297 O\n0.708454 0.285725 0.200703 O\n0.547266 0.732300 0.138993 O\n0.452734 0.267700 0.861007 O\n0.668617 0.938060 0.471291 O\n0.331383 0.061940 0.528709 O\n0.064809 0.300299 0.504884 O\n0.935191 0.699701 0.495116 O\n",
            "nsites": 33,
            "nelements": 4,
            "elements": [
                "Ba",
                "Cu",
                "C",
                "O"
            ],
            "chemical_system": "Ba-C-Cu-O",
            "density": 2.445063493393939,
            "density_atomic": 0.0630790527792245,
            "volume": 523.1530681904717,
            "volume_molar": 9.546973986875452,
            "formula_full": "Ba2 Cu1 C12 O18",
            "formula_reduced": "Ba2Cu(C2O3)6",
            "formula_anonymous": "AB2C12D18",
            "energy": -234.05153169,
            "energy_per_atom": -7.092470657272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -231.15353169,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.2723775,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.653000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-759208",
            "created_at": "2022-09-04T14:40:03.255539Z",
            "structure_string": "Mn2 V1 Ni3 P6 O24\n1.0\n7.386493 -4.322739 0.000000\n7.386493 4.322739 0.000000\n4.856730 0.000000 7.046880\nMn V Ni P O\n2 1 3 6 24\ndirect\n0.997501 0.997501 0.997501 Mn\n0.498943 0.498943 0.498943 Mn\n0.144708 0.144708 0.144708 V\n0.642235 0.642235 0.642235 Ni\n0.856072 0.856072 0.856072 Ni\n0.357051 0.357051 0.357051 Ni\n0.955917 0.251455 0.543593 P\n0.543593 0.955917 0.251455 P\n0.251455 0.543593 0.955917 P\n0.750581 0.456879 0.044517 P\n0.456879 0.044517 0.750581 P\n0.044517 0.750581 0.456879 P\n0.506584 0.107295 0.319575 O\n0.319575 0.506584 0.107295 O\n0.107295 0.319575 0.506584 O\n0.942545 0.088969 0.735359 O\n0.014155 0.179987 0.375965 O\n0.761417 0.407550 0.543425 O\n0.735359 0.942545 0.088968 O\n0.543425 0.761417 0.407550 O\n0.811943 0.611121 0.013455 O\n0.407550 0.543425 0.761417 O\n0.916573 0.255860 0.069445 O\n0.611121 0.013455 0.811943 O\n0.375965 0.014155 0.179987 O\n0.088969 0.735359 0.942545 O\n0.592447 0.437029 0.243673 O\n0.179987 0.375965 0.014155 O\n0.437029 0.243673 0.592447 O\n0.255860 0.069445 0.916573 O\n0.243673 0.592447 0.437029 O\n0.013455 0.811943 0.611121 O\n0.069445 0.916573 0.255860 O\n0.889233 0.695578 0.481376 O\n0.695578 0.481376 0.889233 O\n0.481376 0.889233 0.695578 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Mn",
                "V",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Mn-Ni-O-P-V",
            "density": 3.345807665024345,
            "density_atomic": 0.07999785165284114,
            "volume": 450.01208477729733,
            "volume_molar": 7.5278781061942714,
            "formula_full": "Mn2 V1 Ni3 P6 O24",
            "formula_reduced": "Mn2VNi3(PO4)6",
            "formula_anonymous": "AB2C3D6E24",
            "energy": -276.54048489,
            "energy_per_atom": -7.681680135833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -247.39348489,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.0002333,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.287000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1209993",
            "created_at": "2022-09-04T14:39:59.539540Z",
            "structure_string": "Nb6 Co10 B4\n1.0\n8.448262 0.000000 0.000000\n0.000000 8.448262 0.000000\n0.000000 0.000000 3.241848\nNb Co B\n6 10 4\ndirect\n0.675029 0.175029 0.000000 Nb\n0.324971 0.824971 0.000000 Nb\n0.175029 0.324971 0.000000 Nb\n0.824971 0.675029 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.220814 0.069566 0.500000 Co\n0.779186 0.930434 0.500000 Co\n0.069566 0.779186 0.500000 Co\n0.720814 0.430434 0.500000 Co\n0.930434 0.220814 0.500000 Co\n0.279186 0.569566 0.500000 Co\n0.569566 0.720814 0.500000 Co\n0.430434 0.279186 0.500000 Co\n0.117905 0.617905 0.000000 B\n0.882095 0.382095 0.000000 B\n0.617905 0.882095 0.000000 B\n0.382095 0.117905 0.000000 B\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Nb",
                "Co",
                "B"
            ],
            "chemical_system": "B-Co-Nb",
            "density": 8.540314343784143,
            "density_atomic": 0.08643758004589339,
            "volume": 231.3808414046431,
            "volume_molar": 6.967039980529984,
            "formula_full": "Nb6 Co10 B4",
            "formula_reduced": "Nb3Co5B2",
            "formula_anonymous": "A2B3C5",
            "energy": -164.58427036,
            "energy_per_atom": -8.229213518,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.58427036,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1837788,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.824000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1096088",
            "created_at": "2022-09-04T14:39:59.542215Z",
            "structure_string": "Nb2 Mo1 Ru1\n1.0\n-4.567447 5.417298 7.659983\n4.567447 -5.417298 7.659983\n4.567447 5.417298 -7.659983\nNb Mo Ru\n2 1 1\ndirect\n0.000000 0.252485 0.252485 Nb\n0.000000 0.747515 0.747515 Nb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Ru\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Nb",
                "Mo",
                "Ru"
            ],
            "chemical_system": "Mo-Nb-Ru",
            "density": 0.8384994990315415,
            "density_atomic": 0.0052761356321682105,
            "volume": 758.13062416597,
            "volume_molar": 114.13923332985323,
            "formula_full": "Nb2 Mo1 Ru1",
            "formula_reduced": "Nb2MoRu",
            "formula_anonymous": "ABC2",
            "energy": -24.03763694,
            "energy_per_atom": -6.009409235,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.03763694,
            "band_gap": 0.0358999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.47e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:45.518000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-680387",
            "created_at": "2022-09-04T14:39:59.650546Z",
            "structure_string": "Pr4 Y4 Si8 O28\n1.0\n9.043083 0.000000 0.000000\n0.000000 6.495506 0.000000\n0.000000 5.137976 11.516136\nPr Y Si O\n4 4 8 28\ndirect\n0.643473 0.506520 0.709695 Pr\n0.356527 0.493480 0.290305 Pr\n0.856527 0.506520 0.209695 Pr\n0.143473 0.493480 0.790305 Pr\n0.633654 0.862951 0.369386 Y\n0.366346 0.137049 0.630614 Y\n0.866346 0.862951 0.869386 Y\n0.133654 0.137049 0.130614 Y\n0.900304 0.918125 0.564306 Si\n0.823525 0.307342 0.977653 Si\n0.599696 0.918125 0.064306 Si\n0.176475 0.692658 0.022347 Si\n0.323525 0.692658 0.522347 Si\n0.676475 0.307342 0.477653 Si\n0.099696 0.081875 0.435694 Si\n0.400304 0.081875 0.935694 Si\n0.223952 0.234549 0.468725 O\n0.248913 0.463191 0.120535 O\n0.748913 0.536809 0.379465 O\n0.923023 0.335015 0.080445 O\n0.948386 0.777273 0.700714 O\n0.251087 0.463191 0.620535 O\n0.690830 0.144396 0.053010 O\n0.938294 0.194757 0.912082 O\n0.551614 0.777273 0.200714 O\n0.190830 0.855604 0.446990 O\n0.723952 0.765451 0.031275 O\n0.308442 0.790765 0.745507 O\n0.561706 0.194757 0.412082 O\n0.276048 0.234549 0.968725 O\n0.051614 0.222727 0.299286 O\n0.438294 0.805243 0.587918 O\n0.751087 0.536809 0.879465 O\n0.423023 0.664985 0.419555 O\n0.061706 0.805243 0.087918 O\n0.691558 0.209235 0.254493 O\n0.191558 0.790765 0.245507 O\n0.309170 0.855604 0.946990 O\n0.776048 0.765451 0.531275 O\n0.448386 0.222727 0.799286 O\n0.809170 0.144396 0.553010 O\n0.576977 0.335015 0.580445 O\n0.076977 0.664985 0.919555 O\n0.808442 0.209235 0.754493 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Pr",
                "Y",
                "Si",
                "O"
            ],
            "chemical_system": "O-Pr-Si-Y",
            "density": 3.9078184013624617,
            "density_atomic": 0.06504536966835076,
            "volume": 676.4509176340213,
            "volume_molar": 9.258369643689187,
            "formula_full": "Pr4 Y4 Si8 O28",
            "formula_reduced": "PrYSi2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -366.81967992,
            "energy_per_atom": -8.336810907272728,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.58367992,
            "band_gap": 0.3855999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.8791555,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.898000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1247073",
            "created_at": "2022-09-04T14:39:59.665272Z",
            "structure_string": "Mg2 W4 S8\n1.0\n6.264582 -0.000081 3.616896\n2.088152 5.906419 3.616836\n-0.000704 -0.000570 7.235013\nMg W S\n2 4 8\ndirect\n0.874973 0.875020 0.875007 Mg\n0.125033 0.124979 0.124996 Mg\n0.500000 0.500052 0.499950 W\n0.500006 0.500000 0.000009 W\n0.999999 0.499989 0.500022 W\n0.499995 0.999962 0.500018 W\n0.741203 0.741213 0.741182 S\n0.258822 0.258806 0.723565 S\n0.258784 0.723615 0.258808 S\n0.723572 0.258792 0.258827 S\n0.741186 0.276404 0.741177 S\n0.276415 0.741188 0.741190 S\n0.258799 0.258779 0.258833 S\n0.741216 0.741196 0.276416 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "W",
                "S"
            ],
            "chemical_system": "Mg-S-W",
            "density": 6.4534357619892475,
            "density_atomic": 0.05229161066501985,
            "volume": 267.72937038952625,
            "volume_molar": 11.516456814799307,
            "formula_full": "Mg2 W4 S8",
            "formula_reduced": "Mg(WS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -97.60258798,
            "energy_per_atom": -6.971613427142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.57858798,
            "band_gap": 0.1636999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:44.970000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1193050",
            "created_at": "2022-09-04T14:39:59.678242Z",
            "structure_string": "Cs4 Se4 O16\n1.0\n0.177674 0.000000 7.567697\n7.701305 0.000000 -2.652388\n0.000000 8.756014 0.000000\nCs Se O\n4 4 16\ndirect\n0.705440 0.212031 0.373411 Cs\n0.794560 0.787969 0.873411 Cs\n0.294560 0.787969 0.626589 Cs\n0.205440 0.212031 0.126589 Cs\n0.781827 0.741279 0.362736 Se\n0.718173 0.258721 0.862736 Se\n0.218173 0.258721 0.637264 Se\n0.281827 0.741279 0.137264 Se\n0.620084 0.571469 0.280704 O\n0.879916 0.428531 0.780704 O\n0.379916 0.428531 0.719296 O\n0.120084 0.571469 0.219296 O\n0.867039 0.897950 0.239464 O\n0.632961 0.102050 0.739464 O\n0.132961 0.102050 0.760536 O\n0.367039 0.897950 0.260536 O\n0.947312 0.653030 0.426889 O\n0.552688 0.346970 0.926889 O\n0.052688 0.346970 0.573111 O\n0.447312 0.653030 0.073111 O\n0.701115 0.808658 0.520142 O\n0.798885 0.191342 0.020142 O\n0.298885 0.191342 0.479858 O\n0.201115 0.808658 0.979858 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Cs",
                "Se",
                "O"
            ],
            "chemical_system": "Cs-O-Se",
            "density": 3.5618083109068257,
            "density_atomic": 0.046652955228538844,
            "volume": 514.4368643407731,
            "volume_molar": 12.908380038304836,
            "formula_full": "Cs4 Se4 O16",
            "formula_reduced": "CsSeO4",
            "formula_anonymous": "ABC4",
            "energy": -128.11138286,
            "energy_per_atom": -5.337974285833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.11938286,
            "band_gap": 0.5336000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0016416,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:46.057000Z",
            "spacegroup": 14
        }
    ]
}