GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10127
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=10128",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10126",
    "results": [
        {
            "id": "mp-1033870",
            "created_at": "2022-09-04T14:39:40.122558Z",
            "structure_string": "Hf1 Mg14 Nb1 O16\n1.0\n8.734746 0.000000 0.000000\n0.000000 8.667885 -0.000000\n0.000000 -0.000000 4.321346\nHf Mg Nb O\n1 14 1 16\ndirect\n-0.000000 0.500000 0.000000 Hf\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.240826 0.500000 Mg\n-0.000000 0.759174 0.500000 Mg\n0.500000 0.248424 0.500000 Mg\n0.500000 0.751576 0.500000 Mg\n0.254531 -0.000000 0.500000 Mg\n0.259721 0.500000 0.500000 Mg\n0.745469 -0.000000 0.500000 Mg\n0.740279 0.500000 0.500000 Mg\n0.254993 0.242287 -0.000000 Mg\n0.254993 0.757713 0.000000 Mg\n0.745007 0.242287 -0.000000 Mg\n0.745007 0.757713 0.000000 Mg\n-0.000000 -0.000000 0.000000 Nb\n0.269897 -0.000000 0.000000 O\n0.254200 0.500000 0.000000 O\n0.730103 -0.000000 -0.000000 O\n0.745800 0.500000 -0.000000 O\n0.249302 0.251252 0.500000 O\n0.249302 0.748748 0.500000 O\n0.750698 0.251252 0.500000 O\n0.750698 0.748748 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.262046 0.000000 O\n-0.000000 0.737954 -0.000000 O\n0.500000 0.253678 0.000000 O\n0.500000 0.746322 -0.000000 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Hf",
                "Mg",
                "Nb",
                "O"
            ],
            "chemical_system": "Hf-Mg-Nb-O",
            "density": 4.4036683141492325,
            "density_atomic": 0.09780645460228422,
            "volume": 327.1767710027254,
            "volume_molar": 6.157201776189683,
            "formula_full": "Hf1 Mg14 Nb1 O16",
            "formula_reduced": "HfMg14NbO16",
            "formula_anonymous": "ABC14D16",
            "energy": -211.363421,
            "energy_per_atom": -6.60510690625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -200.371421,
            "band_gap": 0.4032,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0451227,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.640000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1185050",
            "created_at": "2022-09-04T14:39:47.987664Z",
            "structure_string": "La2 Tl1 Ag1\n1.0\n0.000000 3.928284 3.928284\n3.928284 0.000000 3.928284\n3.928284 3.928284 0.000000\nLa Tl Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "La",
                "Tl",
                "Ag"
            ],
            "chemical_system": "Ag-La-Tl",
            "density": 8.081806319190468,
            "density_atomic": 0.03299296614510269,
            "volume": 121.23796273448242,
            "volume_molar": 18.25280192606719,
            "formula_full": "La2 Tl1 Ag1",
            "formula_reduced": "La2TlAg",
            "formula_anonymous": "ABC2",
            "energy": -16.43319718,
            "energy_per_atom": -4.108299295,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.43319718,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0754169,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.351000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1218062",
            "created_at": "2022-09-04T14:39:40.019257Z",
            "structure_string": "Ta3 W1 S8\n1.0\n-1.654145 2.870024 13.025076\n1.654145 -2.870024 13.025076\n1.654145 2.870024 -13.025076\nTa W S\n3 1 8\ndirect\n0.004214 0.000000 0.004214 Ta\n0.749303 0.750020 0.999282 Ta\n0.249262 0.249980 0.999282 Ta\n0.497507 0.500000 0.997507 W\n0.231053 0.559844 0.671209 S\n0.720969 0.058728 0.662241 S\n0.523407 0.189502 0.333906 S\n0.023201 0.689483 0.333717 S\n0.644234 0.310517 0.333717 S\n0.144404 0.810498 0.333906 S\n0.111365 0.440156 0.671209 S\n0.603514 0.941272 0.662241 S\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ta",
                "W",
                "S"
            ],
            "chemical_system": "S-Ta-W",
            "density": 6.600748912633247,
            "density_atomic": 0.04851565328260744,
            "volume": 247.34285097840626,
            "volume_molar": 12.41277887143055,
            "formula_full": "Ta3 W1 S8",
            "formula_reduced": "Ta3WS8",
            "formula_anonymous": "AB3C8",
            "energy": -97.32964433,
            "energy_per_atom": -8.110803694166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.30564433,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0707366,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.353000Z",
            "spacegroup": 44
        },
        {
            "id": "mp-760408",
            "created_at": "2022-09-04T14:39:40.024300Z",
            "structure_string": "Li2 Zn2 O4\n1.0\n-2.095553 2.095553 4.285954\n2.095553 -2.095553 4.285954\n2.095553 2.095553 -4.285954\nLi Zn O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.482532 0.982532 0.500000 O\n0.267468 0.267468 0.000000 O\n0.732532 0.732532 0.000000 O\n0.017468 0.517468 0.500000 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "Zn",
                "O"
            ],
            "chemical_system": "Li-O-Zn",
            "density": 4.603220267018856,
            "density_atomic": 0.1062637630978112,
            "volume": 75.28436568387237,
            "volume_molar": 5.667163089694913,
            "formula_full": "Li2 Zn2 O4",
            "formula_reduced": "LiZnO2",
            "formula_anonymous": "ABC2",
            "energy": -39.25515713,
            "energy_per_atom": -4.90689464125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.50715713,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0024793,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.307000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1176498",
            "created_at": "2022-09-04T14:39:40.084379Z",
            "structure_string": "Mg2 Fe4 O10\n1.0\n2.599166 4.940565 0.000000\n-2.599166 4.940565 0.000000\n0.000000 2.550756 6.714401\nMg Fe O\n2 4 10\ndirect\n0.003455 0.996999 0.501978 Mg\n0.996999 0.003455 0.001978 Mg\n0.627385 0.621605 0.286586 Fe\n0.621605 0.627385 0.786586 Fe\n0.370757 0.368656 0.212892 Fe\n0.368656 0.370757 0.712892 Fe\n0.431856 0.735046 0.056550 O\n0.735046 0.431856 0.556550 O\n0.374323 0.013458 0.331091 O\n0.966450 0.635385 0.166957 O\n0.013458 0.374323 0.831091 O\n0.635385 0.966450 0.666957 O\n0.273202 0.570790 0.437350 O\n0.786591 0.218577 0.252653 O\n0.570790 0.273202 0.937350 O\n0.218577 0.786591 0.752653 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O",
            "density": 4.159765549286265,
            "density_atomic": 0.09278378338107925,
            "volume": 172.44392734326428,
            "volume_molar": 6.4905100229271895,
            "formula_full": "Mg2 Fe4 O10",
            "formula_reduced": "MgFe2O5",
            "formula_anonymous": "AB2C5",
            "energy": -113.78206098,
            "energy_per_atom": -7.11137881125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.88806098,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9990174,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.524000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1235165",
            "created_at": "2022-09-04T14:39:40.105655Z",
            "structure_string": "Li1 Te4 H4 O6 F8\n1.0\n5.030921 -0.030233 -0.069377\n2.478335 5.951512 -0.435696\n2.382893 -0.741496 11.332020\nLi Te H O F\n1 4 4 6 8\ndirect\n0.622078 0.316693 0.157480 Li\n0.807960 0.261044 0.874692 Te\n0.905132 0.768031 0.115414 Te\n0.415101 0.772551 0.611848 Te\n0.716751 0.282432 0.414671 Te\n0.220660 0.290562 0.725313 H\n0.102868 0.703483 0.298646 H\n0.693146 0.780187 0.763017 H\n0.138559 0.186090 0.239065 H\n0.717004 0.565329 0.475969 O\n0.914221 0.143153 0.008664 O\n0.618496 0.668565 0.734176 O\n0.928112 0.293123 0.257714 O\n0.190665 0.161670 0.760087 O\n0.956028 0.836223 0.273468 O\n0.385759 0.472863 0.330678 F\n0.331539 0.482227 0.631705 F\n0.512035 0.050218 0.180496 F\n0.854688 0.944937 0.805896 F\n0.107481 0.132172 0.453436 F\n0.664850 0.945061 0.570240 F\n0.332374 0.530121 0.085988 F\n0.910498 0.527850 0.921812 F\n",
            "nsites": 23,
            "nelements": 5,
            "elements": [
                "Li",
                "Te",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "F-H-Li-O-Te",
            "density": 3.761193017943074,
            "density_atomic": 0.06771373928405694,
            "volume": 339.66518823477975,
            "volume_molar": 8.893528586181477,
            "formula_full": "Li1 Te4 H4 O6 F8",
            "formula_reduced": "LiTe4H4(O3F4)2",
            "formula_anonymous": "AB4C4D6E8",
            "energy": -116.38264422999998,
            "energy_per_atom": -5.060114966521739,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -108.56464423,
            "band_gap": 0.8481000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9968794,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.630000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1261949",
            "created_at": "2022-09-04T14:39:40.125094Z",
            "structure_string": "Al4 V4 O14\n1.0\n0.000000 4.765564 4.765564\n4.765564 0.000000 4.765564\n4.765564 4.765564 0.000000\nAl V O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n0.125000 0.125000 0.625000 V\n0.125000 0.625000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.027102 0.472898 0.027102 O\n0.777102 0.222898 0.777102 O\n0.027102 0.027102 0.472898 O\n0.472898 0.027102 0.027102 O\n0.027102 0.472898 0.472898 O\n0.472898 0.472898 0.027102 O\n0.472898 0.027102 0.472898 O\n0.222898 0.777102 0.777102 O\n0.777102 0.222898 0.222898 O\n0.222898 0.777102 0.222898 O\n0.777102 0.777102 0.222898 O\n0.222898 0.222898 0.777102 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Al",
                "V",
                "O"
            ],
            "chemical_system": "Al-O-V",
            "density": 4.109459063018593,
            "density_atomic": 0.10163651521353201,
            "volume": 216.4576378261235,
            "volume_molar": 5.925174379845528,
            "formula_full": "Al4 V4 O14",
            "formula_reduced": "Al2V2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -175.30944816000002,
            "energy_per_atom": -7.968611280000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.89144816,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0000172,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.561000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1220630",
            "created_at": "2022-09-04T14:39:40.022707Z",
            "structure_string": "Pr16 Re25 B24\n1.0\n5.359417 3.099689 4.987092\n-5.359417 3.099689 4.987092\n0.000000 -12.387523 9.967312\nPr Re B\n16 25 24\ndirect\n0.184772 0.184772 0.350220 Pr\n0.189460 0.189460 0.845835 Pr\n0.187674 0.689660 0.094312 Pr\n0.185212 0.701096 0.592078 Pr\n0.689660 0.187674 0.094312 Pr\n0.701096 0.185212 0.592078 Pr\n0.810540 0.810540 0.154165 Pr\n0.815228 0.815228 0.649780 Pr\n0.814788 0.298904 0.407922 Pr\n0.812326 0.310340 0.905688 Pr\n0.298904 0.814788 0.407922 Pr\n0.310340 0.812326 0.905688 Pr\n0.641273 0.641273 0.320593 Pr\n0.642382 0.642382 0.821300 Pr\n0.357618 0.357618 0.178700 Pr\n0.358727 0.358727 0.679407 Pr\n0.066328 0.592226 0.297510 Re\n0.065970 0.597313 0.797691 Re\n0.596055 0.596055 0.032544 Re\n0.594374 0.594374 0.533092 Re\n0.592226 0.066328 0.297510 Re\n0.597313 0.065970 0.797691 Re\n0.934030 0.402687 0.202309 Re\n0.933672 0.407774 0.702490 Re\n0.405626 0.405626 0.466908 Re\n0.403945 0.403945 0.967456 Re\n0.402687 0.934030 0.202309 Re\n0.407774 0.933672 0.702490 Re\n0.912370 0.912370 0.331653 Re\n0.922037 0.922037 0.834549 Re\n0.912933 0.662960 0.456095 Re\n0.920758 0.671200 0.960360 Re\n0.662960 0.912933 0.456095 Re\n0.671200 0.920758 0.960360 Re\n0.077963 0.077963 0.165451 Re\n0.087630 0.087630 0.668347 Re\n0.079242 0.328800 0.039640 Re\n0.087067 0.337040 0.543905 Re\n0.328800 0.079242 0.039640 Re\n0.337040 0.087067 0.543905 Re\n0.000000 0.000000 0.000000 Re\n0.847091 0.150277 0.250522 B\n0.849723 0.152909 0.749478 B\n0.152075 0.499534 0.424542 B\n0.150682 0.499689 0.924065 B\n0.500311 0.849318 0.075935 B\n0.500466 0.847925 0.575458 B\n0.849318 0.500311 0.075935 B\n0.847925 0.500466 0.575458 B\n0.499534 0.152075 0.424542 B\n0.499689 0.150682 0.924065 B\n0.150277 0.847091 0.250522 B\n0.152909 0.849723 0.749478 B\n0.501077 0.673859 0.163382 B\n0.499131 0.672922 0.663229 B\n0.673888 0.326440 0.251266 B\n0.673560 0.326112 0.748734 B\n0.327078 0.500869 0.336771 B\n0.326141 0.498923 0.836618 B\n0.500869 0.327078 0.336771 B\n0.498923 0.326141 0.836618 B\n0.326440 0.673888 0.251266 B\n0.326112 0.673560 0.748734 B\n0.673859 0.501077 0.163382 B\n0.672922 0.499131 0.663229 B\n",
            "nsites": 65,
            "nelements": 3,
            "elements": [
                "Pr",
                "Re",
                "B"
            ],
            "chemical_system": "B-Pr-Re",
            "density": 11.984374062591689,
            "density_atomic": 0.06543517336314224,
            "volume": 993.349549779181,
            "volume_molar": 9.203216634850547,
            "formula_full": "Pr16 Re25 B24",
            "formula_reduced": "Pr16Re25B24",
            "formula_anonymous": "A16B24C25",
            "energy": -564.42792613,
            "energy_per_atom": -8.683506555846153,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -564.42792613,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1636932,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.928000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1097738",
            "created_at": "2022-09-04T14:39:40.025476Z",
            "structure_string": "Cr4 N8\n1.0\n2.830568 -4.901056 0.000000\n2.830568 4.901056 0.000000\n0.000000 0.000000 9.193541\nCr N\n4 8\ndirect\n0.836878 0.170116 0.561651 Cr\n0.170116 0.836878 0.438349 Cr\n0.163122 0.829884 0.061651 Cr\n0.829884 0.163122 0.938349 Cr\n0.831592 0.168408 0.750000 N\n0.168408 0.831592 0.250000 N\n0.981143 0.981143 0.000000 N\n0.026787 0.507882 0.002774 N\n0.507882 0.026787 0.997226 N\n0.018857 0.018857 0.500000 N\n0.973213 0.492118 0.502774 N\n0.492118 0.973213 0.497226 N\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Cr",
                "N"
            ],
            "chemical_system": "Cr-N",
            "density": 2.0834091869332365,
            "density_atomic": 0.04704410122069854,
            "volume": 255.0798014761566,
            "volume_molar": 12.80105391268559,
            "formula_full": "Cr4 N8",
            "formula_reduced": "CrN2",
            "formula_anonymous": "AB2",
            "energy": -106.67861915,
            "energy_per_atom": -8.889884929166668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -103.79061915,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.79e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.266000Z",
            "spacegroup": 20
        },
        {
            "id": "mp-753067",
            "created_at": "2022-09-04T14:39:40.259872Z",
            "structure_string": "Fe8 O6 F10\n1.0\n4.821588 0.000000 0.000000\n-0.015632 6.151742 0.000000\n-0.119060 -0.018348 9.662460\nFe O F\n8 6 10\ndirect\n0.008372 0.000268 0.005725 Fe\n0.959350 0.499884 0.983307 Fe\n0.008077 0.999608 0.502995 Fe\n0.985363 0.499503 0.490026 Fe\n0.459746 0.751315 0.762604 Fe\n0.495981 0.247392 0.744174 Fe\n0.528190 0.751025 0.267402 Fe\n0.559513 0.250102 0.248933 Fe\n0.821602 0.246428 0.087246 O\n0.666590 0.496586 0.843559 O\n0.706767 0.999321 0.341955 O\n0.699361 0.501679 0.339477 O\n0.314539 0.002474 0.664861 O\n0.171490 0.752400 0.909944 O\n0.786137 0.747012 0.609616 F\n0.802197 0.253316 0.607323 F\n0.793431 0.752538 0.096849 F\n0.693115 0.000759 0.856216 F\n0.292125 0.497858 0.650245 F\n0.313030 0.997919 0.150125 F\n0.310354 0.503883 0.148698 F\n0.222139 0.250854 0.393832 F\n0.193996 0.249337 0.898619 F\n0.208534 0.748540 0.396267 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.245446123424291,
            "density_atomic": 0.08374045608475786,
            "volume": 286.59982429171885,
            "volume_molar": 7.191435348649992,
            "formula_full": "Fe8 O6 F10",
            "formula_reduced": "Fe4O3F5",
            "formula_anonymous": "A3B4C5",
            "energy": -167.80421264999998,
            "energy_per_atom": -6.991842193749999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -141.01421265,
            "band_gap": 0.7379,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 38.0000932,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.874000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1516863",
            "created_at": "2022-09-04T14:39:40.265448Z",
            "structure_string": "Sr2 Zn2 Se4 O12\n1.0\n0.000000 6.365878 0.000000\n0.000000 0.000000 6.476403\n7.816874 0.000000 0.000000\nSr Zn Se O\n2 2 4 12\ndirect\n0.267186 0.532203 -0.000000 Sr\n0.732814 0.032203 -0.000000 Sr\n0.842049 0.120003 0.500000 Zn\n0.157951 0.620003 0.500000 Zn\n0.781044 0.439368 0.756848 Se\n0.218956 0.939368 0.756848 Se\n0.781044 0.439368 0.243152 Se\n0.218956 0.939368 0.243152 Se\n0.351042 0.929036 -0.000000 O\n0.916400 0.443282 0.500000 O\n0.083600 0.943282 0.500000 O\n0.648958 0.429036 -0.000000 O\n0.655396 0.208292 0.699760 O\n0.014161 0.340079 0.819853 O\n0.985839 0.840079 0.180147 O\n0.344604 0.708292 0.300240 O\n0.985839 0.840079 0.819853 O\n0.344604 0.708292 0.699760 O\n0.655396 0.208292 0.300240 O\n0.014161 0.340079 0.180147 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Sr",
                "Zn",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-Sr-Zn",
            "density": 4.193628437907875,
            "density_atomic": 0.06205899060893084,
            "volume": 322.27401386579794,
            "volume_molar": 9.703897373950134,
            "formula_full": "Sr2 Zn2 Se4 O12",
            "formula_reduced": "SrZn(SeO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -114.12946136,
            "energy_per_atom": -5.706473067999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -105.88546136,
            "band_gap": 2.756,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.453000Z",
            "spacegroup": 26
        },
        {
            "id": "mp-1245940",
            "created_at": "2022-09-04T14:39:40.283571Z",
            "structure_string": "Cs2 Sn2 N2\n1.0\n3.591700 0.000000 0.000000\n-1.795850 3.110504 0.000000\n0.000000 0.000000 13.353552\nCs Sn N\n2 2 2\ndirect\n0.666669 0.333338 0.750552 Cs\n0.333331 0.666662 0.250552 Cs\n0.999997 0.999994 0.508725 Sn\n0.000003 0.000006 0.008725 Sn\n0.333331 0.666662 0.585362 N\n0.666669 0.333338 0.085362 N\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sn",
                "N"
            ],
            "chemical_system": "Cs-N-Sn",
            "density": 5.913107344506384,
            "density_atomic": 0.04021829261813893,
            "volume": 149.18584577839408,
            "volume_molar": 14.973636044619017,
            "formula_full": "Cs2 Sn2 N2",
            "formula_reduced": "CsSnN",
            "formula_anonymous": "ABC",
            "energy": -26.25944159,
            "energy_per_atom": -4.376573598333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.53744159,
            "band_gap": 0.7113999999999994,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0097415,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.268000Z",
            "spacegroup": 186
        }
    ]
}