GET /third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12160
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=formula_reduced&page=12161",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12159",
    "results": [
        {
            "id": "mp-1245318",
            "created_at": "2022-09-04T14:43:52.528128Z",
            "structure_string": "Zr30 O60\n1.0\n10.418814 -0.347236 -0.515857\n-0.355222 9.979068 -0.110696\n-0.515728 -0.104260 11.259311\nZr O\n30 60\ndirect\n0.202481 0.855930 0.566250 Zr\n0.377849 0.205092 0.619697 Zr\n0.083346 0.789233 0.288486 Zr\n0.574912 0.724240 0.692393 Zr\n0.531618 0.962924 0.476838 Zr\n0.037373 0.375280 0.921455 Zr\n0.411297 0.917452 0.135752 Zr\n0.805692 0.001513 0.605681 Zr\n0.804833 0.214622 0.072198 Zr\n0.959385 0.380738 0.621862 Zr\n0.105395 0.084131 0.748729 Zr\n0.289447 0.516215 0.106271 Zr\n0.725509 0.907340 0.249254 Zr\n0.080239 0.155850 0.417906 Zr\n0.625238 0.025974 0.859905 Zr\n0.757073 0.259184 0.384909 Zr\n0.551770 0.674498 0.985602 Zr\n0.410485 0.294076 0.916321 Zr\n0.113531 0.497435 0.405994 Zr\n0.609753 0.405188 0.703340 Zr\n0.956003 0.708991 0.711414 Zr\n0.902210 0.555705 0.110583 Zr\n0.269188 0.868139 0.878618 Zr\n0.253278 0.547085 0.753399 Zr\n0.736117 0.661628 0.471129 Zr\n0.918753 0.874093 0.967586 Zr\n0.181391 0.126296 0.096264 Zr\n0.416401 0.700896 0.333459 Zr\n0.389770 0.270361 0.313641 Zr\n0.624478 0.483660 0.224471 Zr\n0.477033 0.451519 0.043629 O\n0.709456 0.603840 0.084450 O\n0.870451 0.714932 0.864766 O\n0.278313 0.984507 0.719657 O\n0.548693 0.728980 0.492093 O\n0.719759 0.464338 0.399872 O\n0.778606 0.119009 0.247432 O\n0.248574 0.163590 0.908547 O\n0.005563 0.197149 0.016791 O\n0.370942 0.105833 0.190503 O\n0.439671 0.484715 0.289597 O\n0.616147 0.814999 0.863260 O\n0.858786 0.397993 0.976538 O\n0.115348 0.954495 0.426373 O\n0.066289 0.935725 0.872842 O\n0.270656 0.316656 0.148292 O\n0.244363 0.429814 0.920460 O\n0.799280 0.041476 0.784054 O\n0.781960 0.342322 0.670430 O\n0.582636 0.556934 0.829331 O\n0.123764 0.699941 0.459903 O\n0.087355 0.512456 0.064609 O\n0.902248 0.857990 0.275363 O\n0.224705 0.928060 0.047512 O\n0.919908 0.151291 0.526241 O\n0.005815 0.927338 0.642148 O\n0.626483 0.201289 0.980491 O\n0.438855 0.964422 0.943188 O\n0.513542 0.187406 0.770422 O\n0.421641 0.687569 0.140573 O\n0.336962 0.682710 0.917237 O\n0.230076 0.584469 0.281848 O\n0.581914 0.944156 0.659952 O\n0.646403 0.679767 0.296504 O\n0.156591 0.469846 0.592093 O\n0.026903 0.515693 0.779848 O\n0.487990 0.350553 0.555568 O\n0.601080 0.855652 0.097314 O\n0.216844 0.317266 0.391631 O\n0.085558 0.110351 0.239895 O\n0.991300 0.756621 0.095958 O\n0.385785 0.668942 0.678859 O\n0.274882 0.833129 0.253540 O\n0.375460 0.376412 0.751644 O\n0.578770 0.277591 0.283624 O\n0.179515 0.173313 0.595182 O\n0.733650 0.898609 0.439932 O\n0.791665 0.006473 0.018716 O\n0.358135 0.847400 0.480772 O\n0.964160 0.349233 0.420974 O\n0.911513 0.580190 0.566484 O\n0.520449 0.904245 0.300357 O\n0.159189 0.738260 0.727489 O\n0.668419 0.132418 0.499797 O\n0.785745 0.789754 0.636079 O\n0.023484 0.257578 0.762775 O\n0.974097 0.589327 0.283814 O\n0.660158 0.566464 0.616219 O\n0.795121 0.379182 0.192487 O\n0.398353 0.118710 0.454284 O\n",
            "nsites": 90,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.262636308408363,
            "density_atomic": 0.07715861828056364,
            "volume": 1166.4283524718212,
            "volume_molar": 7.804884138933558,
            "formula_full": "Zr30 O60",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -876.49310974,
            "energy_per_atom": -9.738812330444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -835.27310974,
            "band_gap": 2.9114,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008921,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.285000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1190186",
            "created_at": "2022-09-04T14:45:09.101461Z",
            "structure_string": "Zr8 O16\n1.0\n5.163611 0.000000 0.000000\n0.000000 5.335058 0.000000\n0.000000 0.000000 10.213953\nZr O\n8 16\ndirect\n0.752307 0.965113 0.384480 Zr\n0.247693 0.534887 0.884480 Zr\n0.747693 0.465113 0.615520 Zr\n0.252307 0.034887 0.115520 Zr\n0.247693 0.034887 0.615520 Zr\n0.752307 0.465113 0.115520 Zr\n0.252307 0.534887 0.384480 Zr\n0.747693 0.965113 0.884480 Zr\n0.998394 0.261156 0.478302 O\n0.001606 0.238844 0.978302 O\n0.501606 0.761156 0.521698 O\n0.498394 0.738844 0.021698 O\n0.001606 0.738844 0.521698 O\n0.998394 0.761156 0.021698 O\n0.498394 0.238844 0.478302 O\n0.501606 0.261156 0.978302 O\n0.625114 0.627742 0.288788 O\n0.374886 0.872258 0.788788 O\n0.874886 0.127742 0.711212 O\n0.125114 0.372258 0.211212 O\n0.374886 0.372258 0.711212 O\n0.625114 0.127742 0.211212 O\n0.125114 0.872258 0.288788 O\n0.874886 0.627742 0.788788 O\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.817597089276029,
            "density_atomic": 0.08529522596961034,
            "volume": 281.37565411399356,
            "volume_molar": 7.06034914796476,
            "formula_full": "Zr8 O16",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -238.60971592,
            "energy_per_atom": -9.942071496666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -227.61771592,
            "band_gap": 3.5794,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.2e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.434000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-775935",
            "created_at": "2022-09-04T14:45:06.590488Z",
            "structure_string": "Zr3 O6\n1.0\n4.509974 3.116359 0.000000\n-4.509974 3.116359 0.000000\n0.000000 3.035042 4.950825\nZr O\n3 6\ndirect\n0.316402 0.683598 0.000000 Zr\n0.683598 0.316402 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.671706 0.671706 0.731914 O\n0.538209 0.875661 0.210123 O\n0.124339 0.461791 0.789877 O\n0.461791 0.124339 0.789877 O\n0.875661 0.538209 0.210123 O\n0.328294 0.328294 0.268086 O\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 4.410952023543007,
            "density_atomic": 0.0646715720967935,
            "volume": 139.1647010920001,
            "volume_molar": 9.311882431103893,
            "formula_full": "Zr3 O6",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -88.87218695,
            "energy_per_atom": -9.87468743888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.75018695,
            "band_gap": 3.825,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.51e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:51.262000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-775980",
            "created_at": "2022-09-04T14:40:53.876119Z",
            "structure_string": "Zr12 O24\n1.0\n4.957159 0.000000 0.000000\n0.000000 5.916337 0.000000\n0.000000 0.000000 16.316733\nZr O\n12 24\ndirect\n0.002462 0.345849 0.084053 Zr\n0.000000 0.017065 0.250000 Zr\n0.997538 0.345849 0.415947 Zr\n0.000000 0.982935 0.750000 Zr\n0.002462 0.654151 0.584053 Zr\n0.997538 0.654151 0.915947 Zr\n0.502462 0.154151 0.915947 Zr\n0.497538 0.154151 0.584053 Zr\n0.500000 0.482935 0.750000 Zr\n0.502462 0.845849 0.415947 Zr\n0.497538 0.845849 0.084053 Zr\n0.500000 0.517065 0.250000 Zr\n0.202783 0.628805 0.030218 O\n0.202783 0.371195 0.530218 O\n0.280800 0.193510 0.695934 O\n0.280800 0.806490 0.195934 O\n0.209297 0.067601 0.362649 O\n0.209297 0.932399 0.862649 O\n0.290703 0.567601 0.362649 O\n0.290703 0.432399 0.862649 O\n0.219200 0.306490 0.195934 O\n0.219200 0.693510 0.695934 O\n0.297217 0.128805 0.030218 O\n0.297217 0.871195 0.530218 O\n0.702783 0.128805 0.469782 O\n0.702783 0.871195 0.969782 O\n0.780800 0.306490 0.304066 O\n0.780800 0.693510 0.804066 O\n0.709297 0.432399 0.637351 O\n0.709297 0.567601 0.137351 O\n0.790703 0.067601 0.137351 O\n0.790703 0.932399 0.637351 O\n0.719200 0.193510 0.804066 O\n0.719200 0.806490 0.304066 O\n0.797217 0.371195 0.969782 O\n0.797217 0.628805 0.469782 O\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.131005222681535,
            "density_atomic": 0.07522869721016305,
            "volume": 478.5407874262186,
            "volume_molar": 8.005111059116462,
            "formula_full": "Zr12 O24",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -356.78080868,
            "energy_per_atom": -9.91057801888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -340.29280868,
            "band_gap": 3.576,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001476,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.716000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-556605",
            "created_at": "2022-09-04T14:41:00.049946Z",
            "structure_string": "Zr4 O8\n1.0\n5.131957 0.000000 0.000000\n0.000000 5.159220 0.000000\n0.000000 0.000000 5.349389\nZr O\n4 8\ndirect\n0.733672 0.748544 0.030422 Zr\n0.266328 0.748544 0.530422 Zr\n0.266328 0.248544 0.969578 Zr\n0.733672 0.248544 0.469578 Zr\n0.463550 0.501564 0.229014 O\n0.933080 0.605892 0.363960 O\n0.066920 0.605892 0.863960 O\n0.536450 0.501564 0.729014 O\n0.933080 0.105892 0.136040 O\n0.536450 0.001564 0.770986 O\n0.066920 0.105892 0.636040 O\n0.463550 0.001564 0.270986 O\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.778683719885388,
            "density_atomic": 0.08472469408428401,
            "volume": 141.63521190247576,
            "volume_molar": 7.107893188742804,
            "formula_full": "Zr4 O8",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -119.27959047,
            "energy_per_atom": -9.9399658725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.78359047,
            "band_gap": 3.6907,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.25e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.687000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1565",
            "created_at": "2022-09-04T14:39:25.393698Z",
            "structure_string": "Zr1 O2\n1.0\n0.000000 2.574983 2.574983\n2.574983 0.000000 2.574983\n2.574983 2.574983 0.000000\nZr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.9922107078822,
            "density_atomic": 0.08785533933391314,
            "volume": 34.14704243071504,
            "volume_molar": 6.854609868515284,
            "formula_full": "Zr1 O2",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -29.67775563,
            "energy_per_atom": -9.89258521,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.30375563,
            "band_gap": 3.125,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.643000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-963",
            "created_at": "2022-09-04T14:39:36.331430Z",
            "structure_string": "Zr4 O8\n1.0\n3.387954 0.000000 0.000000\n0.000000 5.632736 0.000000\n0.000000 0.000000 6.589221\nZr O\n4 8\ndirect\n0.250000 0.251537 0.608416 Zr\n0.750000 0.748463 0.391584 Zr\n0.250000 0.751537 0.891584 Zr\n0.750000 0.248463 0.108416 Zr\n0.750000 0.478022 0.840763 O\n0.250000 0.521978 0.159237 O\n0.750000 0.978022 0.659237 O\n0.250000 0.021978 0.340763 O\n0.750000 0.360737 0.423498 O\n0.250000 0.639263 0.576502 O\n0.750000 0.860737 0.076502 O\n0.250000 0.139263 0.923498 O\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 6.508923782587941,
            "density_atomic": 0.09543117481927556,
            "volume": 125.74507253761895,
            "volume_molar": 6.310454389149598,
            "formula_full": "Zr4 O8",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -118.30106930999996,
            "energy_per_atom": -9.858422442499997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.80506931,
            "band_gap": 2.8574,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.86e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.553000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-775909",
            "created_at": "2022-09-04T14:46:13.791225Z",
            "structure_string": "Zr2 O4\n1.0\n4.934397 0.000000 0.000000\n0.000000 4.934397 0.000000\n0.000000 0.000000 3.283376\nZr O\n2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.305412 0.694588 0.500000 O\n0.194588 0.194588 0.000000 O\n0.805412 0.805412 0.000000 O\n0.694588 0.305412 0.500000 O\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Zr",
                "O"
            ],
            "chemical_system": "O-Zr",
            "density": 5.118955696624514,
            "density_atomic": 0.07505203199390824,
            "volume": 79.9445376840297,
            "volume_molar": 8.023954315439187,
            "formula_full": "Zr2 O4",
            "formula_reduced": "ZrO2",
            "formula_anonymous": "AB2",
            "energy": -59.4662836,
            "energy_per_atom": -9.911047266666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.71828360000001,
            "band_gap": 3.1299,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:28.042000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1215343",
            "created_at": "2022-09-04T14:45:36.426085Z",
            "structure_string": "Zr2 O4 F10\n1.0\n-3.477538 -4.772242 0.000000\n-3.414596 4.715991 0.000000\n0.000000 0.000000 -7.156538\nZr O F\n2 4 10\ndirect\n0.194403 0.807255 0.000000 Zr\n0.805597 0.192745 0.000000 Zr\n0.500000 0.500000 0.582549 O\n0.500000 0.500000 0.417451 O\n0.019731 0.906782 0.500000 O\n0.980269 0.093218 0.500000 O\n0.252369 0.741651 0.720370 F\n0.747631 0.258349 0.720370 F\n0.747631 0.258349 0.279630 F\n0.252369 0.741651 0.279630 F\n0.000000 0.000000 0.836152 F\n0.000000 0.000000 0.163848 F\n0.834512 0.570415 0.000000 F\n0.165488 0.429585 0.000000 F\n0.565383 0.829122 0.000000 F\n0.434617 0.170878 0.000000 F\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Zr",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Zr",
            "density": 3.097239589657925,
            "density_atomic": 0.06838037168955714,
            "volume": 233.98527391221353,
            "volume_molar": 8.80682659541566,
            "formula_full": "Zr2 O4 F10",
            "formula_reduced": "ZrO2F5",
            "formula_anonymous": "AB2C5",
            "energy": -97.30776285,
            "energy_per_atom": -6.081735178125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.04376285,
            "band_gap": 0.2921999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.002639,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.365000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1199395",
            "created_at": "2022-09-04T14:41:26.801358Z",
            "structure_string": "Zr4 O12 F20\n1.0\n0.000000 5.076389 16.193433\n3.352149 0.000000 16.193433\n3.352149 5.076389 0.000000\nZr O F\n4 12 20\ndirect\n0.813494 0.183635 0.815720 Zr\n0.187150 0.815720 0.183635 Zr\n0.066365 0.436506 0.062850 Zr\n0.434280 0.062850 0.436506 Zr\n0.308303 0.541731 0.723592 O\n0.426374 0.723592 0.541731 O\n0.050759 0.738502 0.100219 O\n0.110519 0.100219 0.738502 O\n0.156867 0.633325 0.864979 O\n0.344829 0.864979 0.633325 O\n0.708269 0.941697 0.823626 O\n0.526408 0.823626 0.941697 O\n0.511498 0.199241 0.139481 O\n0.149781 0.139481 0.199241 O\n0.616675 0.093133 0.905171 O\n0.385021 0.905171 0.093133 O\n0.162736 0.823771 0.556116 F\n0.457376 0.556116 0.823771 F\n0.699825 0.179971 0.813456 F\n0.306749 0.813456 0.179971 F\n0.861754 0.265382 0.672008 F\n0.200857 0.672008 0.265382 F\n0.965264 0.963116 0.037369 F\n0.034251 0.037369 0.963116 F\n0.837458 0.168607 0.441096 F\n0.552840 0.441096 0.168607 F\n0.426229 0.087264 0.792624 F\n0.693884 0.792624 0.087264 F\n0.984618 0.388246 0.049143 F\n0.577992 0.049143 0.388246 F\n0.286884 0.284736 0.215749 F\n0.212631 0.215749 0.284736 F\n0.070029 0.550175 0.943251 F\n0.436544 0.943251 0.550175 F\n0.081393 0.412542 0.697160 F\n0.808904 0.697160 0.412542 F\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Zr",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Zr",
            "density": 2.82276814236999,
            "density_atomic": 0.06532138246836092,
            "volume": 551.1212200298573,
            "volume_molar": 9.219248785674257,
            "formula_full": "Zr4 O12 F20",
            "formula_reduced": "ZrO3F5",
            "formula_anonymous": "AB3C5",
            "energy": -207.26691222,
            "energy_per_atom": -5.757414228333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.02691222000004,
            "band_gap": 0.8127,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.999559,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.825000Z",
            "spacegroup": 43
        },
        {
            "id": "mp-728474",
            "created_at": "2022-09-04T14:46:42.406098Z",
            "structure_string": "Zr4 O4 F16\n1.0\n-4.090421 4.090421 5.657457\n4.090421 -4.090421 5.657457\n4.090421 4.090421 -5.657457\nZr O F\n4 4 16\ndirect\n0.875000 0.266787 0.891787 Zr\n0.375000 0.983213 0.108213 Zr\n0.016787 0.125000 0.391787 Zr\n0.733213 0.625000 0.608213 Zr\n0.150636 0.150636 0.000000 O\n0.599364 0.099364 0.500000 O\n0.849364 0.849364 0.000000 O\n0.900636 0.400636 0.500000 O\n0.114737 0.501090 0.164017 F\n0.635263 0.299280 0.886353 F\n0.337073 0.950720 0.835983 F\n0.412927 0.748910 0.113647 F\n0.049280 0.885263 0.386353 F\n0.700720 0.587073 0.335983 F\n0.498910 0.662927 0.613647 F\n0.251090 0.364737 0.664017 F\n0.814594 0.475053 0.783427 F\n0.935406 0.218833 0.160459 F\n0.691626 0.031167 0.216573 F\n0.058374 0.774947 0.839541 F\n0.968833 0.185406 0.660459 F\n0.781167 0.941626 0.716573 F\n0.524947 0.308374 0.339541 F\n0.225053 0.064594 0.283427 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Zr",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Zr",
            "density": 3.214086902457193,
            "density_atomic": 0.06338609101531596,
            "volume": 378.6319619268032,
            "volume_molar": 9.500729045659043,
            "formula_full": "Zr4 O4 F16",
            "formula_reduced": "ZrOF4",
            "formula_anonymous": "ABC4",
            "energy": -154.40965283999998,
            "energy_per_atom": -6.433735534999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -144.26965284,
            "band_gap": 0.7603999999999997,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9985496,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:49.879000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-11541",
            "created_at": "2022-09-04T14:42:19.549961Z",
            "structure_string": "Zr1 Os1\n1.0\n3.290436 0.000000 0.000000\n0.000000 3.290436 0.000000\n0.000000 0.000000 3.290436\nZr Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Os\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Zr",
                "Os"
            ],
            "chemical_system": "Os-Zr",
            "density": 13.118862448190253,
            "density_atomic": 0.05613964363724223,
            "volume": 35.6254487991304,
            "volume_molar": 10.727073365326813,
            "formula_full": "Zr1 Os1",
            "formula_reduced": "ZrOs",
            "formula_anonymous": "AB",
            "energy": -20.8295383,
            "energy_per_atom": -10.41476915,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -20.8295383,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002803,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:43.423000Z",
            "spacegroup": 221
        }
    ]
}