GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=14
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_theoretical&page=15",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=13",
    "results": [
        {
            "id": "mp-560663",
            "created_at": "2022-09-04T14:39:06.170028Z",
            "structure_string": "Rb1 Co2 S2\n1.0\n-1.880101 1.880101 6.644316\n1.880101 -1.880101 6.644316\n1.880101 1.880101 -6.644316\nRb Co S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.339535 0.339535 0.000000 S\n0.660465 0.660465 0.000000 S\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Rb",
                "Co",
                "S"
            ],
            "chemical_system": "Co-Rb-S",
            "density": 4.727615088499618,
            "density_atomic": 0.05322275765567592,
            "volume": 93.94477513449131,
            "volume_molar": 11.314973190529091,
            "formula_full": "Rb1 Co2 S2",
            "formula_reduced": "Rb(CoS)2",
            "formula_anonymous": "AB2C2",
            "energy": -27.54049741,
            "energy_per_atom": -5.508099482,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.53449741,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0218986,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.484000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-22759",
            "created_at": "2022-09-04T14:39:06.286760Z",
            "structure_string": "Co4 B4 W4\n1.0\n3.259722 0.000000 0.000000\n0.000000 5.745631 0.000000\n0.000000 0.000000 6.634388\nCo B W\n4 4 4\ndirect\n0.250000 0.142818 0.442063 Co\n0.250000 0.642818 0.057937 Co\n0.750000 0.857182 0.557937 Co\n0.750000 0.357182 0.942063 Co\n0.250000 0.269541 0.126047 B\n0.250000 0.769541 0.373953 B\n0.750000 0.730459 0.873953 B\n0.750000 0.230459 0.626047 B\n0.250000 0.027729 0.825203 W\n0.250000 0.527729 0.674797 W\n0.750000 0.972271 0.174797 W\n0.750000 0.472271 0.325203 W\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Co",
                "B",
                "W"
            ],
            "chemical_system": "B-Co-W",
            "density": 13.555392881469277,
            "density_atomic": 0.09657441468407024,
            "volume": 124.25651285856954,
            "volume_molar": 6.235751756508797,
            "formula_full": "Co4 B4 W4",
            "formula_reduced": "CoBW",
            "formula_anonymous": "ABC",
            "energy": -112.17840453,
            "energy_per_atom": -9.3482003775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.17840453,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.27e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:31.478000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-568694",
            "created_at": "2022-09-04T14:39:05.689742Z",
            "structure_string": "Na6 U3 Br18\n1.0\n6.357030 -11.010699 0.000000\n6.357030 11.010699 0.000000\n0.000000 0.000000 6.684005\nNa U Br\n6 3 18\ndirect\n0.000000 0.338565 0.000000 Na\n0.661435 0.661435 0.000000 Na\n0.338565 0.000000 0.000000 Na\n0.000000 0.661435 0.000000 Na\n0.338565 0.338565 0.000000 Na\n0.661435 0.000000 0.000000 Na\n0.333333 0.666667 0.492475 U\n0.666667 0.333333 0.507525 U\n0.000000 0.000000 0.000000 U\n0.437315 0.562685 0.249302 Br\n0.770971 0.229029 0.270409 Br\n0.229029 0.770971 0.729591 Br\n0.770971 0.541942 0.270409 Br\n0.210282 0.105141 0.765722 Br\n0.458058 0.229029 0.270409 Br\n0.541942 0.770971 0.729591 Br\n0.894859 0.789718 0.765722 Br\n0.562685 0.437315 0.750698 Br\n0.562685 0.125371 0.750698 Br\n0.874629 0.437315 0.750698 Br\n0.125371 0.562685 0.249302 Br\n0.437315 0.874629 0.249302 Br\n0.229029 0.458058 0.729591 Br\n0.105141 0.210282 0.234278 Br\n0.105141 0.894859 0.234278 Br\n0.789718 0.894859 0.234278 Br\n0.894859 0.105141 0.765722 Br\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Na",
                "U",
                "Br"
            ],
            "chemical_system": "Br-Na-U",
            "density": 4.064480591252669,
            "density_atomic": 0.028855449964558227,
            "volume": 935.6984567269897,
            "volume_molar": 20.87002894564704,
            "formula_full": "Na6 U3 Br18",
            "formula_reduced": "Na2UBr6",
            "formula_anonymous": "AB2C6",
            "energy": -119.93286932,
            "energy_per_atom": -4.441958122962963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -110.32086932,
            "band_gap": 0.0866,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9800756,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.074000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1095164",
            "created_at": "2022-09-04T14:39:06.403648Z",
            "structure_string": "Gd2 B4 Ru4\n1.0\n0.000000 4.502488 4.923070\n3.309609 0.000000 4.923070\n3.309609 4.502488 0.000000\nGd B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Gd\n0.313695 0.686305 0.313695 B\n0.686305 0.313695 0.686305 B\n0.563695 0.936305 0.563695 B\n0.936305 0.563695 0.936305 B\n0.637984 0.637984 0.362016 Ru\n0.362016 0.362016 0.637984 Ru\n0.612016 0.612016 0.887984 Ru\n0.887984 0.887984 0.612016 Ru\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Gd",
                "B",
                "Ru"
            ],
            "chemical_system": "B-Gd-Ru",
            "density": 8.624272842201691,
            "density_atomic": 0.06815610141718899,
            "volume": 146.72200715808543,
            "volume_molar": 8.835805796957182,
            "formula_full": "Gd2 B4 Ru4",
            "formula_reduced": "Gd(BRu)2",
            "formula_anonymous": "AB2C2",
            "energy": -97.34211385,
            "energy_per_atom": -9.734211385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.34211385,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9699168,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.853000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1188179",
            "created_at": "2022-09-04T14:39:05.530040Z",
            "structure_string": "Er4 Al6 Ge8\n1.0\n2.998809 -7.359926 0.000000\n2.998809 7.359926 0.000000\n0.000000 0.000000 7.867614\nEr Al Ge\n4 6 8\ndirect\n0.113766 0.886234 0.417892 Er\n0.886234 0.113766 0.582108 Er\n0.386234 0.613766 0.917892 Er\n0.613766 0.386234 0.082108 Er\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.032667 0.467333 0.250000 Al\n0.467333 0.032667 0.750000 Al\n0.967333 0.532667 0.750000 Al\n0.532667 0.967333 0.250000 Al\n0.204361 0.295639 0.250000 Ge\n0.295639 0.204361 0.750000 Ge\n0.795639 0.704361 0.750000 Ge\n0.704361 0.795639 0.250000 Ge\n0.184497 0.815503 0.051555 Ge\n0.815503 0.184497 0.948445 Ge\n0.315503 0.684497 0.551555 Ge\n0.684497 0.315503 0.448445 Ge\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Er",
                "Al",
                "Ge"
            ],
            "chemical_system": "Al-Er-Ge",
            "density": 6.751533276963207,
            "density_atomic": 0.05182952296352281,
            "volume": 347.29241117399926,
            "volume_molar": 11.619132138720113,
            "formula_full": "Er4 Al6 Ge8",
            "formula_reduced": "Er2Al3Ge4",
            "formula_anonymous": "A2B3C4",
            "energy": -85.14517064,
            "energy_per_atom": -4.730287257777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.14517064,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.865000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-554390",
            "created_at": "2022-09-04T14:39:05.933463Z",
            "structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.979595 0.000000 0.000000\n0.000000 8.128664 0.000000\n0.000000 0.000000 11.432981\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.511161 0.040679 0.162354 Sr\n0.011161 0.459321 0.837646 Sr\n0.988839 0.959321 0.662354 Sr\n0.488839 0.540679 0.337646 Sr\n0.499613 0.663716 0.661280 Al\n0.999613 0.836284 0.338720 Al\n0.988897 0.528284 0.542812 Al\n0.500387 0.163716 0.838720 Al\n0.000387 0.336284 0.161280 Al\n0.488897 0.971716 0.457188 Al\n0.511103 0.471716 0.042812 Al\n0.011103 0.028284 0.957188 Al\n0.994241 0.701681 0.074567 Si\n0.505759 0.298319 0.574567 Si\n0.494241 0.798319 0.925433 Si\n0.005759 0.201681 0.425433 Si\n0.294155 0.157387 0.506660 N\n0.205845 0.842613 0.006660 N\n0.335462 0.481814 0.593610 N\n0.705845 0.657387 0.993340 N\n0.835462 0.018186 0.406390 N\n0.164538 0.518186 0.093610 N\n0.794155 0.342613 0.493340 N\n0.664538 0.981814 0.906390 N\n0.648651 0.368867 0.167857 O\n0.148651 0.131133 0.832143 O\n0.351349 0.868867 0.332143 O\n0.125397 0.291310 0.303793 O\n0.874603 0.791310 0.196207 O\n0.043852 0.152151 0.083333 O\n0.543852 0.347849 0.916667 O\n0.374603 0.708690 0.803793 O\n0.956148 0.652151 0.416667 O\n0.851349 0.631133 0.667857 O\n0.456148 0.847849 0.583333 O\n0.625397 0.208690 0.696207 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Sr",
                "Al",
                "Si",
                "N",
                "O"
            ],
            "chemical_system": "Al-N-O-Si-Sr",
            "density": 3.5261966560194797,
            "density_atomic": 0.07779108421937492,
            "volume": 462.77796949684,
            "volume_molar": 7.741427980380435,
            "formula_full": "Sr4 Al8 Si4 N8 O12",
            "formula_reduced": "SrAl2SiN2O3",
            "formula_anonymous": "ABC2D2E3",
            "energy": -278.89134209,
            "energy_per_atom": -7.746981724722223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -267.75934209,
            "band_gap": 3.6311,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0016491,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.690000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-561157",
            "created_at": "2022-09-04T14:39:05.933752Z",
            "structure_string": "Sr12 Y8 B16 O48\n1.0\n7.412256 0.000000 0.000000\n0.000000 8.747868 0.000000\n0.000000 0.000000 16.338639\nSr Y B O\n12 8 16 48\ndirect\n0.028080 0.664155 0.225350 Sr\n0.308565 0.651354 0.681551 Sr\n0.691435 0.348646 0.181551 Sr\n0.827137 0.851876 0.430334 Sr\n0.672863 0.351876 0.930334 Sr\n0.172863 0.148124 0.930334 Sr\n0.327137 0.648124 0.430334 Sr\n0.808565 0.848646 0.681551 Sr\n0.191435 0.151354 0.181551 Sr\n0.471920 0.164155 0.725350 Sr\n0.971920 0.335845 0.725350 Sr\n0.528080 0.835845 0.225350 Sr\n0.494975 0.176394 0.390308 Y\n0.683557 0.471358 0.557470 Y\n0.183557 0.028642 0.557470 Y\n0.505025 0.823606 0.890308 Y\n0.005025 0.676394 0.890308 Y\n0.994975 0.323606 0.390308 Y\n0.316443 0.528642 0.057470 Y\n0.816443 0.971358 0.057470 Y\n0.169924 0.955643 0.356048 B\n0.658633 0.565950 0.765964 B\n0.486426 0.125575 0.051809 B\n0.830076 0.044357 0.856048 B\n0.013574 0.625575 0.551809 B\n0.289021 0.346595 0.553717 B\n0.841367 0.065950 0.265964 B\n0.710978 0.653405 0.053717 B\n0.669924 0.544357 0.356048 B\n0.986426 0.374425 0.051809 B\n0.341367 0.434050 0.265964 B\n0.513574 0.874425 0.551809 B\n0.789022 0.153405 0.553717 B\n0.158633 0.934050 0.765964 B\n0.210979 0.846595 0.053717 B\n0.330076 0.455643 0.856048 B\n0.585781 0.452456 0.414846 O\n0.888142 0.193463 0.847035 O\n0.887510 0.972037 0.201818 O\n0.461702 0.955216 0.481416 O\n0.202768 0.467963 0.320419 O\n0.702768 0.032037 0.320419 O\n0.961702 0.544784 0.481416 O\n0.555406 0.073906 0.125783 O\n0.944594 0.573906 0.625783 O\n0.388142 0.306537 0.847035 O\n0.612490 0.472037 0.701818 O\n0.126730 0.985367 0.059222 O\n0.689235 0.988206 0.809397 O\n0.268005 0.767122 0.121679 O\n0.914219 0.952456 0.914846 O\n0.431189 0.294971 0.273196 O\n0.387510 0.527963 0.201818 O\n0.263795 0.272406 0.478432 O\n0.112490 0.027963 0.701818 O\n0.373270 0.485367 0.559222 O\n0.931189 0.205029 0.273196 O\n0.231995 0.267122 0.621679 O\n0.768005 0.732878 0.121679 O\n0.085781 0.047544 0.414846 O\n0.414219 0.547544 0.914846 O\n0.611858 0.693463 0.347035 O\n0.189235 0.511794 0.809397 O\n0.383045 0.258165 0.048007 O\n0.731995 0.232878 0.621679 O\n0.444594 0.926094 0.625783 O\n0.873270 0.014633 0.559222 O\n0.797232 0.532037 0.820419 O\n0.736205 0.727594 0.978432 O\n0.297232 0.967963 0.820419 O\n0.111858 0.806537 0.347035 O\n0.568811 0.705029 0.773196 O\n0.116955 0.758165 0.548007 O\n0.538298 0.044784 0.981416 O\n0.055406 0.426094 0.125783 O\n0.068811 0.794971 0.773196 O\n0.038298 0.455216 0.981416 O\n0.626730 0.514633 0.059222 O\n0.763795 0.227594 0.478432 O\n0.616955 0.741835 0.548007 O\n0.883045 0.241835 0.048007 O\n0.310765 0.011794 0.309397 O\n0.810765 0.488206 0.309397 O\n0.236205 0.772406 0.978432 O\n",
            "nsites": 84,
            "nelements": 4,
            "elements": [
                "Sr",
                "Y",
                "B",
                "O"
            ],
            "chemical_system": "B-O-Sr-Y",
            "density": 4.237683214196365,
            "density_atomic": 0.0792886050761274,
            "volume": 1059.4208325313462,
            "volume_molar": 7.595215925690659,
            "formula_full": "Sr12 Y8 B16 O48",
            "formula_reduced": "Sr3Y2(BO3)4",
            "formula_anonymous": "A2B3C4D12",
            "energy": -698.6975097,
            "energy_per_atom": -8.31782749642857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -665.7215097,
            "band_gap": 4.4415,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011851,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.194000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-8198",
            "created_at": "2022-09-04T14:39:05.936658Z",
            "structure_string": "Rb12 Cu20 O16\n1.0\n7.476453 0.000000 0.000000\n0.000000 9.959583 0.000000\n0.000000 4.126931 13.888486\nRb Cu O\n12 20 16\ndirect\n0.833948 0.398426 0.092856 Rb\n0.333948 0.601574 0.407144 Rb\n0.166052 0.601574 0.907144 Rb\n0.666052 0.398426 0.592856 Rb\n0.212330 0.227775 0.582396 Rb\n0.712330 0.772225 0.917604 Rb\n0.787670 0.772225 0.417604 Rb\n0.287670 0.227775 0.082396 Rb\n0.912433 0.175415 0.893707 Rb\n0.412433 0.824585 0.606293 Rb\n0.087567 0.824585 0.106293 Rb\n0.587567 0.175415 0.393707 Rb\n0.582745 0.435387 0.877614 Cu\n0.202235 0.960815 0.378753 Cu\n0.797765 0.039185 0.621247 Cu\n0.297765 0.960815 0.878753 Cu\n0.058480 0.201066 0.363939 Cu\n0.558480 0.798934 0.136061 Cu\n0.941520 0.798934 0.636061 Cu\n0.441520 0.201066 0.863939 Cu\n0.170097 0.437180 0.242111 Cu\n0.670097 0.562820 0.257889 Cu\n0.829903 0.562820 0.757889 Cu\n0.329903 0.437180 0.742111 Cu\n0.954298 0.067946 0.233104 Cu\n0.454298 0.932054 0.266896 Cu\n0.045702 0.932054 0.766896 Cu\n0.545702 0.067946 0.733104 Cu\n0.417255 0.564613 0.122386 Cu\n0.917255 0.435387 0.377614 Cu\n0.702235 0.039185 0.121247 Cu\n0.082745 0.564613 0.622386 Cu\n0.809860 0.496106 0.888813 O\n0.309860 0.503894 0.611187 O\n0.190140 0.503894 0.111187 O\n0.690140 0.496106 0.388813 O\n0.531953 0.027692 0.865515 O\n0.031953 0.972308 0.634485 O\n0.468047 0.972308 0.134485 O\n0.968047 0.027692 0.365515 O\n0.650359 0.631074 0.124179 O\n0.150359 0.368926 0.375821 O\n0.349641 0.368926 0.875821 O\n0.849641 0.631074 0.624179 O\n0.931430 0.107072 0.101889 O\n0.431430 0.892928 0.398111 O\n0.068570 0.892928 0.898111 O\n0.568570 0.107072 0.601889 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Rb",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-O-Rb",
            "density": 4.0985219333637115,
            "density_atomic": 0.046414061061179866,
            "volume": 1034.1693638212278,
            "volume_molar": 12.974819747106427,
            "formula_full": "Rb12 Cu20 O16",
            "formula_reduced": "Rb3Cu5O4",
            "formula_anonymous": "A3B4C5",
            "energy": -224.90645802,
            "energy_per_atom": -4.68555120875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -213.91445802000004,
            "band_gap": 1.5344999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007327,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:44.602000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-14429",
            "created_at": "2022-09-04T14:39:05.700819Z",
            "structure_string": "Cs8 K32 Ga8 O32\n1.0\n6.778276 0.000000 0.000000\n0.000000 11.745136 0.000000\n0.000000 0.000000 21.157045\nCs K Ga O\n8 32 8 32\ndirect\n0.421964 0.154660 0.498141 Cs\n0.921964 0.845340 0.001859 Cs\n0.078036 0.654660 0.501859 Cs\n0.578036 0.345340 0.998141 Cs\n0.578036 0.845340 0.501859 Cs\n0.078036 0.154660 0.998141 Cs\n0.921964 0.345340 0.498141 Cs\n0.421964 0.654660 0.001859 Cs\n0.586935 0.923474 0.251991 K\n0.086935 0.076526 0.248009 K\n0.913065 0.423474 0.748009 K\n0.413065 0.576526 0.751991 K\n0.413065 0.076526 0.748009 K\n0.913065 0.923474 0.751991 K\n0.086935 0.576526 0.251991 K\n0.586935 0.423474 0.248009 K\n0.407627 0.942068 0.067332 K\n0.592373 0.557932 0.567332 K\n0.092373 0.442068 0.932668 K\n0.092373 0.942068 0.567332 K\n0.592373 0.057932 0.932668 K\n0.407627 0.442068 0.432668 K\n0.907627 0.557932 0.067332 K\n0.088142 0.325560 0.322411 K\n0.588142 0.674440 0.177589 K\n0.411858 0.825560 0.677589 K\n0.911858 0.674440 0.677589 K\n0.411858 0.325560 0.822411 K\n0.588142 0.174440 0.322411 K\n0.088142 0.825560 0.177589 K\n0.410180 0.702765 0.360220 K\n0.910180 0.297235 0.139780 K\n0.089820 0.202765 0.639780 K\n0.589820 0.797235 0.860220 K\n0.589820 0.297235 0.639780 K\n0.089820 0.702765 0.860220 K\n0.910180 0.797235 0.360220 K\n0.410180 0.202765 0.139780 K\n0.907627 0.057932 0.432668 K\n0.911858 0.174440 0.822411 K\n0.803922 0.533932 0.371619 Ga\n0.303922 0.466068 0.128381 Ga\n0.696078 0.033932 0.628381 Ga\n0.196078 0.966068 0.871619 Ga\n0.196078 0.466068 0.628381 Ga\n0.696078 0.533932 0.871619 Ga\n0.303922 0.966068 0.371619 Ga\n0.803922 0.033932 0.128381 Ga\n0.276421 0.882699 0.797185 O\n0.776421 0.117301 0.702815 O\n0.223579 0.382699 0.202815 O\n0.723579 0.617301 0.297185 O\n0.723579 0.117301 0.202815 O\n0.223579 0.882699 0.297185 O\n0.776421 0.617301 0.797185 O\n0.276421 0.382699 0.702815 O\n0.315524 0.395688 0.556274 O\n0.815524 0.604312 0.943726 O\n0.815524 0.104312 0.556274 O\n0.315524 0.895688 0.943726 O\n0.684476 0.604312 0.443726 O\n0.184476 0.395688 0.056274 O\n0.085550 0.537829 0.378761 O\n0.585550 0.462171 0.121239 O\n0.414450 0.037829 0.621239 O\n0.914450 0.962171 0.878761 O\n0.914450 0.462171 0.621239 O\n0.414450 0.537829 0.878761 O\n0.184476 0.895688 0.443726 O\n0.585550 0.962171 0.378761 O\n0.085550 0.037829 0.121239 O\n0.721337 0.377939 0.364082 O\n0.221337 0.622061 0.135918 O\n0.778663 0.877939 0.635918 O\n0.278663 0.122061 0.864082 O\n0.278663 0.622061 0.635918 O\n0.778663 0.377939 0.864082 O\n0.221337 0.122061 0.364082 O\n0.721337 0.877939 0.135918 O\n0.684476 0.104312 0.056274 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Cs",
                "K",
                "Ga",
                "O"
            ],
            "chemical_system": "Cs-Ga-K-O",
            "density": 3.336313931708577,
            "density_atomic": 0.04749607029230662,
            "volume": 1684.3498737401512,
            "volume_molar": 12.679240035939273,
            "formula_full": "Cs8 K32 Ga8 O32",
            "formula_reduced": "CsK4GaO4",
            "formula_anonymous": "ABC4D4",
            "energy": -362.38699129,
            "energy_per_atom": -4.5298373911250005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -340.40299129,
            "band_gap": 2.2621,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0421005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.600000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-7768",
            "created_at": "2022-09-04T14:39:05.944067Z",
            "structure_string": "Th2 Se1 N2\n1.0\n2.022784 -3.503564 0.000000\n2.022784 3.503564 0.000000\n0.000000 0.000000 7.199714\nTh Se N\n2 1 2\ndirect\n0.666667 0.333333 0.703462 Th\n0.333333 0.666667 0.296538 Th\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.626157 N\n0.666667 0.333333 0.373843 N\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Th",
                "Se",
                "N"
            ],
            "chemical_system": "N-Se-Th",
            "density": 9.292189601063155,
            "density_atomic": 0.04899651589370809,
            "volume": 102.04807237410277,
            "volume_molar": 12.290957122470283,
            "formula_full": "Th2 Se1 N2",
            "formula_reduced": "Th2SeN2",
            "formula_anonymous": "AB2C2",
            "energy": -45.860688800000005,
            "energy_per_atom": -9.172137760000002,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.6666888,
            "band_gap": 1.3591999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001866,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.938000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-28313",
            "created_at": "2022-09-04T14:39:06.270575Z",
            "structure_string": "Nd4 Cl8\n1.0\n3.601588 0.000000 0.000000\n0.000000 8.762357 0.000000\n0.000000 0.000000 10.089425\nNd Cl\n4 8\ndirect\n0.250000 0.127637 0.178906 Nd\n0.750000 0.872363 0.821094 Nd\n0.250000 0.372363 0.678906 Nd\n0.750000 0.627637 0.321094 Nd\n0.250000 0.450110 0.161677 Cl\n0.750000 0.549890 0.838323 Cl\n0.250000 0.049890 0.661677 Cl\n0.750000 0.950110 0.338323 Cl\n0.250000 0.832982 0.046953 Cl\n0.750000 0.167018 0.953047 Cl\n0.250000 0.667018 0.546953 Cl\n0.750000 0.332982 0.453047 Cl\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Nd",
                "Cl"
            ],
            "chemical_system": "Cl-Nd",
            "density": 4.488125698282933,
            "density_atomic": 0.0376877192160375,
            "volume": 318.40610813332427,
            "volume_molar": 15.97905335018883,
            "formula_full": "Nd4 Cl8",
            "formula_reduced": "NdCl2",
            "formula_anonymous": "AB2",
            "energy": -61.63608056,
            "energy_per_atom": -5.136340046666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.72408056,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9366578,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.935000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-766957",
            "created_at": "2022-09-04T14:39:06.658480Z",
            "structure_string": "Fe4 B4 P8 H20 N4 O36\n1.0\n8.390516 0.000000 0.000000\n0.000000 9.473411 0.000000\n0.000000 2.080396 9.577578\nFe B P H N O\n4 4 8 20 4 36\ndirect\n0.346494 0.788137 0.930619 Fe\n0.153506 0.788137 0.430619 Fe\n0.846494 0.211863 0.569381 Fe\n0.653506 0.211863 0.069381 Fe\n0.937550 0.667611 0.691564 B\n0.562450 0.667611 0.191564 B\n0.437550 0.332389 0.808436 B\n0.062450 0.332389 0.308436 B\n0.062411 0.924491 0.705118 P\n0.437589 0.924491 0.205118 P\n0.257123 0.578142 0.716341 P\n0.242877 0.578142 0.216341 P\n0.757123 0.421858 0.783659 P\n0.742877 0.421858 0.283659 P\n0.562411 0.075509 0.794882 P\n0.937589 0.075509 0.294882 P\n0.686366 0.887845 0.521545 H\n0.554193 0.845191 0.653921 H\n0.501310 0.829541 0.489129 H\n0.813634 0.887845 0.021545 H\n0.945807 0.845191 0.153921 H\n0.635050 0.714816 0.584389 H\n0.998690 0.829541 0.989129 H\n0.864950 0.714816 0.084389 H\n0.917462 0.600209 0.503464 H\n0.582538 0.600209 0.003464 H\n0.417462 0.399791 0.996536 H\n0.082538 0.399791 0.496536 H\n0.135050 0.285184 0.915611 H\n0.001310 0.170459 0.010871 H\n0.364950 0.285184 0.415611 H\n0.054193 0.154809 0.846079 H\n0.186366 0.112155 0.978455 H\n0.498690 0.170459 0.510871 H\n0.445807 0.154809 0.346079 H\n0.313634 0.112155 0.478455 H\n0.593899 0.819210 0.561228 N\n0.906101 0.819210 0.061228 N\n0.093899 0.180790 0.938772 N\n0.406101 0.180790 0.438772 N\n0.494174 0.923188 0.805729 O\n0.153128 0.887506 0.845964 O\n0.165757 0.911434 0.578438 O\n0.005826 0.923188 0.305729 O\n0.918834 0.813936 0.718786 O\n0.346872 0.887506 0.345964 O\n0.334243 0.911434 0.078438 O\n0.581166 0.813936 0.218786 O\n0.370496 0.655191 0.799074 O\n0.947457 0.686810 0.536415 O\n0.079510 0.591605 0.762204 O\n0.790240 0.589244 0.742477 O\n0.276396 0.629178 0.558257 O\n0.129504 0.655191 0.299074 O\n0.552543 0.686810 0.036415 O\n0.420490 0.591605 0.262204 O\n0.709760 0.589244 0.242477 O\n0.223604 0.629178 0.058257 O\n0.776396 0.370822 0.941743 O\n0.290240 0.410756 0.757523 O\n0.579510 0.408395 0.737796 O\n0.447457 0.313190 0.963585 O\n0.870496 0.344809 0.700926 O\n0.723604 0.370822 0.441743 O\n0.209760 0.410756 0.257523 O\n0.920490 0.408395 0.237796 O\n0.052543 0.313190 0.463585 O\n0.629504 0.344809 0.200926 O\n0.418834 0.186064 0.781214 O\n0.665757 0.088566 0.921562 O\n0.653128 0.112494 0.654036 O\n0.081166 0.186064 0.281214 O\n0.994174 0.076812 0.694271 O\n0.834243 0.088566 0.421562 O\n0.846872 0.112494 0.154036 O\n0.505826 0.076812 0.194271 O\n",
            "nsites": 76,
            "nelements": 6,
            "elements": [
                "Fe",
                "B",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "B-Fe-H-N-O-P",
            "density": 2.5445569091225653,
            "density_atomic": 0.09983040785411108,
            "volume": 761.2910898958154,
            "volume_molar": 6.032371187745282,
            "formula_full": "Fe4 B4 P8 H20 N4 O36",
            "formula_reduced": "FeBP2H5NO9",
            "formula_anonymous": "ABCD2E5F9",
            "energy": -531.5058903400001,
            "energy_per_atom": -6.993498557105264,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -496.30589034,
            "band_gap": 2.8005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.003502,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.564000Z",
            "spacegroup": 14
        }
    ]
}