GET /third-parties/MatprojStructure/?format=api&ordering=created_at&page=15
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=created_at&page=16",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=created_at&page=14",
    "results": [
        {
            "id": "mp-771168",
            "created_at": "2022-09-04T14:39:05.624810Z",
            "structure_string": "Na4 Si2 Bi2 C2 O14\n1.0\n6.955854 0.000000 0.000000\n0.000000 5.357678 0.000000\n0.000000 0.191287 9.309595\nNa Si Bi C O\n4 2 2 2 14\ndirect\n0.007306 0.231296 0.779254 Na\n0.492694 0.231296 0.779254 Na\n0.507306 0.768704 0.220746 Na\n0.992694 0.768704 0.220746 Na\n0.250000 0.709621 0.583667 Si\n0.750000 0.290379 0.416333 Si\n0.750000 0.785331 0.634074 Bi\n0.250000 0.214669 0.365926 Bi\n0.750000 0.727998 0.931705 C\n0.250000 0.272002 0.068295 C\n0.250000 0.295511 0.934027 O\n0.750000 0.947958 0.864752 O\n0.750000 0.531144 0.846690 O\n0.064801 0.824512 0.670303 O\n0.435199 0.824512 0.670303 O\n0.750000 0.197910 0.587794 O\n0.250000 0.401015 0.587982 O\n0.750000 0.598985 0.412018 O\n0.250000 0.802090 0.412206 O\n0.564801 0.175488 0.329697 O\n0.935199 0.175488 0.329697 O\n0.250000 0.468856 0.153310 O\n0.250000 0.052042 0.135248 O\n0.750000 0.704489 0.065973 O\n",
            "nsites": 24,
            "nelements": 5,
            "elements": [
                "Na",
                "Si",
                "Bi",
                "C",
                "O"
            ],
            "chemical_system": "Bi-C-Na-O-Si",
            "density": 3.896467569963012,
            "density_atomic": 0.06917567207038663,
            "volume": 346.94278034017316,
            "volume_molar": 8.705576078642848,
            "formula_full": "Na4 Si2 Bi2 C2 O14",
            "formula_reduced": "Na2SiBiCO7",
            "formula_anonymous": "ABCD2E7",
            "energy": -164.16469996,
            "energy_per_atom": -6.840195831666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.54669996,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0066167,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.637000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1198615",
            "created_at": "2022-09-04T14:39:05.627205Z",
            "structure_string": "Zr6 Co30 Si18\n1.0\n14.546550 0.000000 0.000000\n-7.273275 12.597682 0.000000\n0.000000 0.000000 3.642000\nZr Co Si\n6 30 18\ndirect\n0.394864 0.294417 0.750000 Zr\n0.705583 0.100447 0.750000 Zr\n0.899553 0.605136 0.750000 Zr\n0.605136 0.705583 0.250000 Zr\n0.294417 0.899553 0.250000 Zr\n0.100447 0.394864 0.250000 Zr\n0.652339 0.428544 0.750000 Co\n0.571456 0.223796 0.750000 Co\n0.776204 0.347661 0.750000 Co\n0.347661 0.571456 0.250000 Co\n0.428544 0.776204 0.250000 Co\n0.223796 0.652339 0.250000 Co\n0.460206 0.534669 0.750000 Co\n0.465331 0.925537 0.750000 Co\n0.074463 0.539794 0.750000 Co\n0.539794 0.465331 0.250000 Co\n0.534669 0.074463 0.250000 Co\n0.925537 0.460206 0.250000 Co\n0.268291 0.047808 0.750000 Co\n0.952192 0.220483 0.750000 Co\n0.779517 0.731709 0.750000 Co\n0.731709 0.952192 0.250000 Co\n0.047808 0.779517 0.250000 Co\n0.220483 0.268291 0.250000 Co\n0.148811 0.735074 0.750000 Co\n0.264926 0.413737 0.750000 Co\n0.586263 0.851189 0.750000 Co\n0.851189 0.264926 0.250000 Co\n0.735074 0.586263 0.250000 Co\n0.413737 0.148811 0.250000 Co\n0.132159 0.104646 0.750000 Co\n0.895354 0.027514 0.750000 Co\n0.972486 0.867841 0.750000 Co\n0.867841 0.895354 0.250000 Co\n0.104646 0.972486 0.250000 Co\n0.027514 0.132159 0.250000 Co\n0.444941 0.682426 0.750000 Si\n0.317574 0.762515 0.750000 Si\n0.237485 0.555059 0.750000 Si\n0.555059 0.317574 0.250000 Si\n0.682426 0.237485 0.250000 Si\n0.762515 0.444941 0.250000 Si\n0.133793 0.882080 0.750000 Si\n0.117920 0.251713 0.750000 Si\n0.748287 0.866207 0.750000 Si\n0.866207 0.117920 0.250000 Si\n0.882080 0.748287 0.250000 Si\n0.251713 0.133793 0.250000 Si\n0.429051 0.058769 0.750000 Si\n0.941231 0.370283 0.750000 Si\n0.629717 0.570949 0.750000 Si\n0.570949 0.941231 0.250000 Si\n0.058769 0.629717 0.250000 Si\n0.370283 0.429051 0.250000 Si\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Zr",
                "Co",
                "Si"
            ],
            "chemical_system": "Co-Si-Zr",
            "density": 7.018478037093064,
            "density_atomic": 0.08091018103975856,
            "volume": 667.4067380156382,
            "volume_molar": 7.442995037967807,
            "formula_full": "Zr6 Co30 Si18",
            "formula_reduced": "ZrCo5Si3",
            "formula_anonymous": "AB3C5",
            "energy": -394.78478713,
            "energy_per_atom": -7.310829391296296,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -396.06278713,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.2809525,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.017000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1195564",
            "created_at": "2022-09-04T14:39:05.633488Z",
            "structure_string": "Sm4 Tl8 P8 S28\n1.0\n3.395668 11.545349 0.000000\n-3.395668 11.545349 0.000000\n0.000000 9.829134 16.234768\nSm Tl P S\n4 8 8 28\ndirect\n0.883268 0.807112 0.235176 Sm\n0.192888 0.116732 0.264824 Sm\n0.116732 0.192888 0.764824 Sm\n0.807112 0.883268 0.735176 Sm\n0.818874 0.816432 0.026067 Tl\n0.183568 0.181126 0.473933 Tl\n0.181126 0.183568 0.973933 Tl\n0.816432 0.818874 0.526067 Tl\n0.535648 0.486473 0.119300 Tl\n0.513527 0.464352 0.380700 Tl\n0.464352 0.513527 0.880700 Tl\n0.486473 0.535648 0.619300 Tl\n0.330980 0.335268 0.137457 P\n0.664732 0.669020 0.362543 P\n0.669020 0.664732 0.862543 P\n0.335268 0.330980 0.637457 P\n0.973735 0.929575 0.310732 P\n0.070425 0.026265 0.189268 P\n0.026265 0.070425 0.689268 P\n0.929575 0.973735 0.810732 P\n0.000914 0.962364 0.393468 S\n0.037636 0.999086 0.106532 S\n0.999086 0.037636 0.606532 S\n0.962364 0.000914 0.893468 S\n0.163346 0.633557 0.084460 S\n0.366443 0.836654 0.415540 S\n0.836654 0.366443 0.915540 S\n0.633557 0.163346 0.584460 S\n0.169445 0.631459 0.312729 S\n0.368541 0.830555 0.187271 S\n0.830555 0.368541 0.687271 S\n0.631459 0.169445 0.812729 S\n0.220901 0.338390 0.262656 S\n0.661610 0.779099 0.237344 S\n0.779099 0.661610 0.737344 S\n0.338390 0.220901 0.762656 S\n0.747803 0.720810 0.401500 S\n0.279190 0.252197 0.098500 S\n0.252197 0.279190 0.598500 S\n0.720810 0.747803 0.901500 S\n0.855356 0.360757 0.395147 S\n0.639243 0.144644 0.104853 S\n0.144644 0.639243 0.604853 S\n0.360757 0.855356 0.895147 S\n0.882611 0.319707 0.189156 S\n0.680293 0.117389 0.310844 S\n0.117389 0.680293 0.810844 S\n0.319707 0.882611 0.689156 S\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Sm",
                "Tl",
                "P",
                "S"
            ],
            "chemical_system": "P-S-Sm-Tl",
            "density": 4.411936875982058,
            "density_atomic": 0.03770794520934382,
            "volume": 1272.9412789139692,
            "volume_molar": 15.970482418404881,
            "formula_full": "Sm4 Tl8 P8 S28",
            "formula_reduced": "SmTl2P2S7",
            "formula_anonymous": "AB2C2D7",
            "energy": -247.13679174,
            "energy_per_atom": -5.14868316125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -233.05279174000003,
            "band_gap": 2.1344,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003387,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:44.879000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1179324",
            "created_at": "2022-09-04T14:39:05.633674Z",
            "structure_string": "Ti6 V4 O18\n1.0\n2.710372 9.288198 0.000000\n-2.710372 9.288198 0.000000\n0.000000 1.245984 6.800675\nTi V O\n6 4 18\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.117938 0.278988 0.464547 Ti\n0.721012 0.882062 0.035453 Ti\n0.882062 0.721012 0.535453 Ti\n0.278988 0.117938 0.964547 Ti\n0.610767 0.535225 0.610881 V\n0.464775 0.389233 0.889119 V\n0.389233 0.464775 0.389119 V\n0.535225 0.610767 0.110881 V\n0.959656 0.223573 0.512502 O\n0.776427 0.040344 0.987498 O\n0.040344 0.776427 0.487498 O\n0.223573 0.959656 0.012502 O\n0.793770 0.591661 0.564241 O\n0.408339 0.206230 0.935759 O\n0.206230 0.408339 0.435759 O\n0.591661 0.793770 0.064241 O\n0.613462 0.300624 0.612762 O\n0.699376 0.386538 0.887238 O\n0.386538 0.699376 0.387238 O\n0.300624 0.613462 0.112762 O\n0.906599 0.702129 0.808344 O\n0.297871 0.093401 0.691656 O\n0.093401 0.297871 0.191656 O\n0.702129 0.906599 0.308344 O\n0.185383 0.814617 0.750000 O\n0.814617 0.185383 0.250000 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Ti",
                "V",
                "O"
            ],
            "chemical_system": "O-Ti-V",
            "density": 3.7776377534605126,
            "density_atomic": 0.08177407646861103,
            "volume": 342.40680187623764,
            "volume_molar": 7.364364136000483,
            "formula_full": "Ti6 V4 O18",
            "formula_reduced": "Ti3V2O9",
            "formula_anonymous": "A2B3C9",
            "energy": -254.38598161,
            "energy_per_atom": -9.085213628928571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -235.21998161,
            "band_gap": 1.5774,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9977657,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.454000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1045417",
            "created_at": "2022-09-04T14:39:05.640101Z",
            "structure_string": "Ca2 Cr4 S8\n1.0\n-3.642795 3.728866 5.102243\n3.642795 -3.728866 5.102243\n3.642795 3.728866 -5.102243\nCa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.235159 0.265467 0.969692 S\n0.238570 0.707255 0.968685 S\n0.795775 0.265467 0.530308 S\n0.761430 0.730116 0.468685 S\n0.204225 0.734533 0.469692 S\n0.761430 0.292745 0.031315 S\n0.238570 0.269884 0.531315 S\n0.764841 0.734533 0.030308 S\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Ca",
                "Cr",
                "S"
            ],
            "chemical_system": "Ca-Cr-S",
            "density": 3.262437944206535,
            "density_atomic": 0.050500467334494745,
            "volume": 277.22515728952845,
            "volume_molar": 11.924920852933433,
            "formula_full": "Ca2 Cr4 S8",
            "formula_reduced": "Ca(CrS2)2",
            "formula_anonymous": "AB2C4",
            "energy": -93.67019328,
            "energy_per_atom": -6.690728091428572,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -89.64619328,
            "band_gap": 0.3849999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.516000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-555099",
            "created_at": "2022-09-04T14:39:05.641166Z",
            "structure_string": "Na6 Eu2 C6 O18\n1.0\n3.656539 -5.590790 0.000000\n3.656539 5.590790 0.000000\n0.000000 0.000000 10.144574\nNa Eu C O\n6 2 6 18\ndirect\n0.371236 0.404751 0.250000 Na\n0.065651 0.065651 0.500000 Na\n0.797363 0.209277 0.750000 Na\n0.404751 0.371236 0.750000 Na\n0.065651 0.065651 0.000000 Na\n0.209277 0.797363 0.250000 Na\n0.772682 0.226861 0.250000 Eu\n0.226861 0.772682 0.750000 Eu\n0.781702 0.759308 0.750000 C\n0.759308 0.781702 0.250000 C\n0.528963 0.124999 0.499019 C\n0.124999 0.528963 0.500981 C\n0.124999 0.528963 0.999019 C\n0.528963 0.124999 0.000981 C\n0.432640 0.107233 0.611893 O\n0.154693 0.437290 0.891520 O\n0.718941 0.118520 0.490750 O\n0.437290 0.154693 0.108480 O\n0.806889 0.577354 0.750000 O\n0.577354 0.806889 0.250000 O\n0.118520 0.718941 0.990750 O\n0.107233 0.432640 0.388107 O\n0.958194 0.943277 0.750000 O\n0.943277 0.958194 0.250000 O\n0.437290 0.154693 0.391520 O\n0.107233 0.432640 0.111893 O\n0.590882 0.763964 0.750000 O\n0.118520 0.718941 0.509250 O\n0.763964 0.590882 0.250000 O\n0.432640 0.107233 0.888107 O\n0.718941 0.118520 0.009250 O\n0.154693 0.437290 0.608480 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Na",
                "Eu",
                "C",
                "O"
            ],
            "chemical_system": "C-Eu-Na-O",
            "density": 3.210502047418615,
            "density_atomic": 0.07715121655412442,
            "volume": 414.7698692158771,
            "volume_molar": 7.805632923202509,
            "formula_full": "Na6 Eu2 C6 O18",
            "formula_reduced": "Na3Eu(CO3)3",
            "formula_anonymous": "AB3C3D9",
            "energy": -245.35779415,
            "energy_per_atom": -7.6674310671875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -232.99179415,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9999996,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.268000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-558088",
            "created_at": "2022-09-04T14:39:05.641321Z",
            "structure_string": "Al18 P18 O72\n1.0\n16.222783 9.372556 0.000000\n-16.222783 9.372556 0.000000\n0.000000 0.004039 8.528252\nAl P O\n18 18 72\ndirect\n0.316630 0.493368 0.262587 Al\n0.574116 0.990880 0.761898 Al\n0.662182 0.166676 0.263514 Al\n0.493368 0.316630 0.262587 Al\n0.416562 0.989805 0.261122 Al\n0.564422 0.564422 0.264459 Al\n0.155564 0.492630 0.764540 Al\n0.485083 0.813813 0.264469 Al\n0.166676 0.662182 0.263514 Al\n0.404713 0.404713 0.762686 Al\n0.481804 0.650627 0.764105 Al\n0.813813 0.485083 0.264469 Al\n0.990880 0.574116 0.761898 Al\n0.989805 0.416562 0.261122 Al\n0.327095 0.820340 0.764275 Al\n0.650627 0.481804 0.764105 Al\n0.492630 0.155564 0.764540 Al\n0.820340 0.327095 0.764275 Al\n0.158512 0.494498 0.389375 P\n0.313989 0.491797 0.890658 P\n0.325595 0.821101 0.388529 P\n0.988043 0.413015 0.886540 P\n0.662266 0.167598 0.890894 P\n0.403100 0.403100 0.389172 P\n0.576991 0.990945 0.390000 P\n0.990945 0.576991 0.390000 P\n0.482026 0.652572 0.388676 P\n0.821101 0.325595 0.388529 P\n0.566232 0.566232 0.885086 P\n0.491797 0.313989 0.890658 P\n0.167598 0.662266 0.890894 P\n0.494498 0.158512 0.389375 P\n0.486848 0.812715 0.890095 P\n0.413015 0.988043 0.886540 P\n0.812715 0.486848 0.890095 P\n0.652572 0.482026 0.388676 P\n0.388570 0.804986 0.301890 O\n0.488438 0.291555 0.064478 O\n0.589876 0.404238 0.298865 O\n0.471412 0.629431 0.563255 O\n0.629431 0.471412 0.563255 O\n0.080211 0.647553 0.858554 O\n0.600142 0.995892 0.564025 O\n0.491256 0.796858 0.065195 O\n0.173744 0.585569 0.849537 O\n0.796858 0.491256 0.065195 O\n0.494384 0.739294 0.370490 O\n0.347465 0.834265 0.563463 O\n0.909191 0.331044 0.848298 O\n0.495689 0.139650 0.563915 O\n0.480023 0.989147 0.779598 O\n0.420247 0.329651 0.852916 O\n0.683128 0.188686 0.064591 O\n0.176329 0.576398 0.313092 O\n0.382949 0.382949 0.563754 O\n0.558330 0.899067 0.847108 O\n0.995892 0.600142 0.564025 O\n0.647553 0.080211 0.858554 O\n0.083597 0.421529 0.308221 O\n0.899067 0.558330 0.847108 O\n0.390487 0.575958 0.855059 O\n0.066763 0.408951 0.851431 O\n0.739294 0.494384 0.370490 O\n0.435604 0.987163 0.060329 O\n0.484744 0.484744 0.372302 O\n0.911326 0.567533 0.317987 O\n0.327648 0.898512 0.318849 O\n0.233540 0.483108 0.372316 O\n0.575958 0.390487 0.855059 O\n0.066840 0.644895 0.303628 O\n0.576398 0.176329 0.313092 O\n0.333762 0.411536 0.310239 O\n0.644895 0.066840 0.303628 O\n0.404238 0.589876 0.298865 O\n0.548644 0.548644 0.061751 O\n0.238485 0.747603 0.369308 O\n0.834265 0.347465 0.563463 O\n0.735405 0.229240 0.791286 O\n0.497331 0.497331 0.786549 O\n0.989147 0.480023 0.779598 O\n0.421529 0.083597 0.308221 O\n0.229240 0.735405 0.791286 O\n0.411536 0.333762 0.310239 O\n0.567533 0.911326 0.317987 O\n0.804605 0.402605 0.853618 O\n0.241086 0.480694 0.791012 O\n0.139650 0.495689 0.563915 O\n0.585569 0.173744 0.849537 O\n0.329651 0.420247 0.852916 O\n0.990182 0.494796 0.374612 O\n0.408951 0.066763 0.851431 O\n0.188686 0.683128 0.064591 O\n0.651774 0.558607 0.321782 O\n0.568209 0.647247 0.842316 O\n0.494796 0.990182 0.374612 O\n0.898512 0.327648 0.318849 O\n0.402605 0.804605 0.853618 O\n0.747603 0.238485 0.369308 O\n0.496844 0.749018 0.794532 O\n0.483108 0.233540 0.372316 O\n0.804986 0.388570 0.301890 O\n0.558607 0.651774 0.321782 O\n0.331044 0.909191 0.848298 O\n0.291555 0.488438 0.064478 O\n0.480694 0.241086 0.791012 O\n0.987163 0.435604 0.060329 O\n0.647247 0.568209 0.842316 O\n0.749018 0.496844 0.794532 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 1.4055306269749552,
            "density_atomic": 0.04164379808638672,
            "volume": 2593.423389863784,
            "volume_molar": 14.46107472595932,
            "formula_full": "Al18 P18 O72",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -855.4146394100001,
            "energy_per_atom": -7.920505920462964,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -805.95063941,
            "band_gap": 5.6341,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0425185,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.233000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1200816",
            "created_at": "2022-09-04T14:39:05.642953Z",
            "structure_string": "Gd12 Ga42 Co14\n1.0\n0.000000 0.000000 4.188987\n16.750687 0.000000 0.000000\n0.000000 16.750687 0.000000\nGd Ga Co\n12 42 14\ndirect\n0.500000 0.107871 0.607871 Gd\n0.500000 0.892129 0.392129 Gd\n0.500000 0.392129 0.107871 Gd\n0.500000 0.607871 0.892129 Gd\n-0.000000 0.658032 0.587088 Gd\n0.000000 0.341968 0.412912 Gd\n-0.000000 0.841968 0.087088 Gd\n0.000000 0.158032 0.912912 Gd\n-0.000000 0.587088 0.341968 Gd\n0.000000 0.412912 0.658032 Gd\n0.000000 0.087088 0.158032 Gd\n-0.000000 0.912912 0.841968 Gd\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n-0.000000 0.320089 0.820089 Ga\n0.000000 0.679911 0.179911 Ga\n-0.000000 0.179911 0.320089 Ga\n0.000000 0.820089 0.679911 Ga\n0.500000 0.426174 0.926174 Ga\n0.500000 0.573826 0.073826 Ga\n0.500000 0.073826 0.426174 Ga\n0.500000 0.926174 0.573826 Ga\n-0.000000 0.574700 0.757301 Ga\n0.000000 0.425300 0.242699 Ga\n-0.000000 0.925300 0.257301 Ga\n0.000000 0.074700 0.742699 Ga\n0.000000 0.757301 0.425300 Ga\n-0.000000 0.242699 0.574700 Ga\n-0.000000 0.257301 0.074700 Ga\n0.000000 0.742699 0.925300 Ga\n0.500000 0.531920 0.610853 Ga\n0.500000 0.468080 0.389147 Ga\n0.500000 0.968080 0.110853 Ga\n0.500000 0.031920 0.889147 Ga\n0.500000 0.610853 0.468080 Ga\n0.500000 0.389147 0.531920 Ga\n0.500000 0.110853 0.031920 Ga\n0.500000 0.889147 0.968080 Ga\n0.500000 0.679484 0.709740 Ga\n0.500000 0.320516 0.290260 Ga\n0.500000 0.820516 0.209740 Ga\n0.500000 0.179484 0.790260 Ga\n0.500000 0.709740 0.320516 Ga\n0.500000 0.290260 0.679484 Ga\n0.500000 0.209740 0.179484 Ga\n0.500000 0.790260 0.820516 Ga\n0.500000 0.772074 0.543589 Ga\n0.500000 0.227926 0.456411 Ga\n0.500000 0.727926 0.043589 Ga\n0.500000 0.272074 0.956411 Ga\n0.500000 0.543589 0.227926 Ga\n0.500000 0.456411 0.772074 Ga\n0.500000 0.043589 0.272074 Ga\n0.500000 0.956411 0.727926 Ga\n0.000000 0.218466 0.718466 Co\n-0.000000 0.781534 0.281534 Co\n0.000000 0.281534 0.218466 Co\n-0.000000 0.718466 0.781534 Co\n-0.000000 0.963330 0.648014 Co\n0.000000 0.036670 0.351986 Co\n-0.000000 0.536670 0.148014 Co\n0.000000 0.463330 0.851986 Co\n-0.000000 0.648014 0.036670 Co\n0.000000 0.351986 0.963330 Co\n0.000000 0.148014 0.463330 Co\n-0.000000 0.851986 0.536670 Co\n-0.000000 0.500000 0.500000 Co\n-0.000000 0.000000 0.000000 Co\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Gd",
                "Ga",
                "Co"
            ],
            "chemical_system": "Co-Ga-Gd",
            "density": 7.968693223238625,
            "density_atomic": 0.05785416808146096,
            "volume": 1175.3690746058833,
            "volume_molar": 10.409173547393488,
            "formula_full": "Gd12 Ga42 Co14",
            "formula_reduced": "Gd6(Ga3Co)7",
            "formula_anonymous": "A6B7C21",
            "energy": -427.67247492,
            "energy_per_atom": -6.289301101764706,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -427.67247492,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 86.5470872,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.299000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-8560",
            "created_at": "2022-09-04T14:39:05.649044Z",
            "structure_string": "S1 F6\n1.0\n-2.994852 2.994852 2.994852\n2.994852 -2.994852 2.994852\n2.994852 2.994852 -2.994852\nS F\n1 6\ndirect\n0.000000 0.000000 0.000000 S\n0.733370 0.000000 0.733370 F\n0.266630 0.000000 0.266630 F\n0.000000 0.266630 0.266630 F\n0.000000 0.733370 0.733370 F\n0.266630 0.266630 0.000000 F\n0.733370 0.733370 0.000000 F\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "S",
                "F"
            ],
            "chemical_system": "F-S",
            "density": 2.2572553237937902,
            "density_atomic": 0.06514962990904377,
            "volume": 107.44496952281676,
            "volume_molar": 9.24355329171875,
            "formula_full": "S1 F6",
            "formula_reduced": "SF6",
            "formula_anonymous": "AB6",
            "energy": -30.34303356,
            "energy_per_atom": -4.33471908,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.57103356,
            "band_gap": 5.8139,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.89e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.846000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1222443",
            "created_at": "2022-09-04T14:39:05.650058Z",
            "structure_string": "Li4 Zn1 Cd3\n1.0\n7.753251 -2.340572 0.000000\n7.753251 2.340572 0.000000\n7.046673 0.000000 3.991939\nLi Zn Cd\n4 1 3\ndirect\n0.125039 0.125039 0.125039 Li\n0.624680 0.624680 0.624680 Li\n0.002139 0.002139 0.002139 Li\n0.497618 0.497618 0.497618 Li\n0.375611 0.375611 0.375611 Zn\n0.874305 0.874305 0.874305 Cd\n0.746291 0.746291 0.746291 Cd\n0.254317 0.254317 0.254317 Cd\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "Zn",
                "Cd"
            ],
            "chemical_system": "Cd-Li-Zn",
            "density": 4.932960901374358,
            "density_atomic": 0.05521667434360852,
            "volume": 144.8837709822345,
            "volume_molar": 10.906380783682746,
            "formula_full": "Li4 Zn1 Cd3",
            "formula_reduced": "Li4ZnCd3",
            "formula_anonymous": "AB3C4",
            "energy": -13.53499366,
            "energy_per_atom": -1.6918742075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.53499366,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003582,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.362000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1219374",
            "created_at": "2022-09-04T14:39:05.651342Z",
            "structure_string": "Si2 H14 N4 F10\n1.0\n6.312371 0.086512 0.000000\n0.086062 6.310963 0.000000\n0.000000 0.000000 7.259414\nSi H N F\n2 14 4 10\ndirect\n0.747867 0.751356 0.271898 Si\n0.247867 0.251356 0.728102 Si\n0.876149 0.219402 0.915085 H\n0.614048 0.273627 0.920234 H\n0.224632 0.617150 0.918628 H\n0.270831 0.877592 0.917227 H\n0.114048 0.773627 0.079766 H\n0.376149 0.719402 0.084915 H\n0.770831 0.377592 0.082773 H\n0.724632 0.117150 0.081372 H\n0.610098 0.639250 0.574567 H\n0.868378 0.666277 0.589106 H\n0.706314 0.879051 0.592872 H\n0.110098 0.139250 0.425433 H\n0.206314 0.379051 0.407128 H\n0.368378 0.166277 0.410894 H\n0.747181 0.248045 0.000048 N\n0.247181 0.748045 0.999952 N\n0.732157 0.732947 0.533710 N\n0.232157 0.232947 0.466290 N\n0.762230 0.768714 0.037647 F\n0.262230 0.268714 0.962353 F\n0.945410 0.932409 0.292511 F\n0.549569 0.571135 0.253963 F\n0.934269 0.547911 0.270708 F\n0.560868 0.955135 0.276059 F\n0.049569 0.071135 0.746037 F\n0.445410 0.432409 0.707489 F\n0.060868 0.455135 0.723941 F\n0.434269 0.047911 0.729292 F\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Si",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "F-H-N-Si",
            "density": 1.816477939108046,
            "density_atomic": 0.10375587936381159,
            "volume": 289.140241342926,
            "volume_molar": 5.804144109158241,
            "formula_full": "Si2 H14 N4 F10",
            "formula_reduced": "SiH7N2F5",
            "formula_anonymous": "AB2C5D7",
            "energy": -163.89672177,
            "energy_per_atom": -5.463224059,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.83272177,
            "band_gap": 7.1042000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001251,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.279000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-758297",
            "created_at": "2022-09-04T14:39:05.657346Z",
            "structure_string": "Li4 Ni4 P4 O16\n1.0\n5.016637 0.000000 0.000000\n0.000000 6.292249 0.000000\n0.000000 0.000000 10.991970\nLi Ni P O\n4 4 4 16\ndirect\n0.247779 0.014242 0.166740 Li\n0.747779 0.514242 0.333260 Li\n0.247779 0.485758 0.666740 Li\n0.747779 0.985758 0.833260 Li\n0.740505 0.279825 0.080989 Ni\n0.240505 0.779825 0.419011 Ni\n0.740505 0.220175 0.580989 Ni\n0.240505 0.720175 0.919011 Ni\n0.250834 0.515826 0.175238 P\n0.750834 0.015826 0.324762 P\n0.250834 0.984174 0.675238 P\n0.750834 0.484174 0.824762 P\n0.188200 0.713910 0.094195 O\n0.124174 0.312425 0.118882 O\n0.638477 0.050251 0.194843 O\n0.556124 0.487500 0.181608 O\n0.056124 0.987500 0.318392 O\n0.138477 0.550251 0.305157 O\n0.624174 0.812425 0.381118 O\n0.688200 0.213910 0.405805 O\n0.188200 0.786090 0.594195 O\n0.124174 0.187575 0.618882 O\n0.638477 0.449749 0.694843 O\n0.556124 0.012500 0.681608 O\n0.056124 0.512500 0.818392 O\n0.138477 0.949749 0.805157 O\n0.624174 0.687575 0.881118 O\n0.688200 0.286090 0.905805 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Li-Ni-O-P",
            "density": 3.074511340379084,
            "density_atomic": 0.08069821334594637,
            "volume": 346.97174620169574,
            "volume_molar": 7.4625453406057405,
            "formula_full": "Li4 Ni4 P4 O16",
            "formula_reduced": "LiNiPO4",
            "formula_anonymous": "ABCD4",
            "energy": -195.81559282,
            "energy_per_atom": -6.993414029285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -174.65959282,
            "band_gap": 3.0029000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9998622,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.947000Z",
            "spacegroup": 33
        }
    ]
}