GET /third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10387
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_anonymous&page=10388",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10386",
    "results": [
        {
            "id": "mp-1046585",
            "created_at": "2022-09-04T14:45:36.988848Z",
            "structure_string": "Te6 W10 O36\n1.0\n4.734848 7.852237 0.000000\n-4.734848 7.852237 0.000000\n0.000000 0.383367 11.997801\nTe W O\n6 10 36\ndirect\n0.807138 0.371562 0.905043 Te\n0.161244 0.824490 0.234836 Te\n0.175510 0.838756 0.765164 Te\n0.740426 0.396040 0.413786 Te\n0.603960 0.259574 0.586214 Te\n0.628438 0.192862 0.094957 Te\n0.548119 0.800344 0.959217 W\n0.183292 0.142311 0.455403 W\n0.322511 0.344514 0.307696 W\n0.740385 0.953198 0.814583 W\n0.655486 0.677489 0.692304 W\n0.089745 0.910255 0.000000 W\n0.315080 0.684920 0.500000 W\n0.046802 0.259615 0.185417 W\n0.857689 0.816708 0.544597 W\n0.199656 0.451881 0.040783 W\n0.183557 0.373787 0.913903 O\n0.465393 0.778329 0.785557 O\n0.542077 0.681437 0.569177 O\n0.080358 0.749656 0.497717 O\n0.221671 0.534607 0.214443 O\n0.250344 0.919642 0.502283 O\n0.836232 0.333331 0.245744 O\n0.078560 0.039756 0.856564 O\n0.357119 0.559848 0.626414 O\n0.381537 0.130338 0.384325 O\n0.623176 0.561461 0.968860 O\n0.991853 0.463343 0.104511 O\n0.949680 0.847241 0.726623 O\n0.752376 0.725244 0.846078 O\n0.438539 0.376824 0.031140 O\n0.543232 0.263080 0.250309 O\n0.787790 0.047755 0.538698 O\n0.274756 0.247624 0.153922 O\n0.318563 0.457923 0.430823 O\n0.952245 0.212210 0.461302 O\n0.773336 0.800057 0.420647 O\n0.658049 0.897415 0.663520 O\n0.960244 0.921440 0.143436 O\n0.736920 0.456768 0.749691 O\n0.854330 0.961693 0.937319 O\n0.135445 0.671268 0.004862 O\n0.536657 0.008147 0.895489 O\n0.666669 0.163768 0.754256 O\n0.152759 0.050320 0.273377 O\n0.102585 0.341951 0.336480 O\n0.199943 0.226664 0.579353 O\n0.328732 0.864555 0.995138 O\n0.440152 0.642881 0.373586 O\n0.869662 0.618463 0.615675 O\n0.038307 0.145670 0.062681 O\n0.626213 0.816443 0.086097 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Te",
                "W",
                "O"
            ],
            "chemical_system": "O-Te-W",
            "density": 5.918916001110323,
            "density_atomic": 0.058287073790069616,
            "volume": 892.1360538236396,
            "volume_molar": 10.331863256147875,
            "formula_full": "Te6 W10 O36",
            "formula_reduced": "Te3W5O18",
            "formula_anonymous": "A3B5C18",
            "energy": -416.40854629,
            "energy_per_atom": -8.007856659423076,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.29654629,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.999832,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:13.793000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1046563",
            "created_at": "2022-09-04T14:43:12.020445Z",
            "structure_string": "Te6 Mo10 O36\n1.0\n4.769243 7.471262 0.000000\n-4.769243 7.471262 0.000000\n0.000000 2.048108 11.311683\nTe Mo O\n6 10 36\ndirect\n0.968438 0.358512 0.948343 Te\n0.181127 0.800740 0.263509 Te\n0.199260 0.818873 0.736491 Te\n0.817772 0.527816 0.461065 Te\n0.472184 0.182228 0.538935 Te\n0.641488 0.031562 0.051657 Te\n0.513235 0.773605 0.973431 Mo\n0.163729 0.125236 0.478462 Mo\n0.362742 0.342586 0.282388 Mo\n0.722239 0.969088 0.775274 Mo\n0.657414 0.637258 0.717612 Mo\n0.047896 0.952104 0.000000 Mo\n0.352802 0.647198 0.500000 Mo\n0.030912 0.277761 0.224726 Mo\n0.874764 0.836271 0.521538 Mo\n0.226395 0.486765 0.026569 Mo\n0.168810 0.384184 0.894433 O\n0.429677 0.765276 0.808680 O\n0.592840 0.607767 0.554340 O\n0.110682 0.730172 0.438576 O\n0.234724 0.570323 0.191320 O\n0.269828 0.889318 0.561424 O\n0.825871 0.358960 0.286941 O\n0.055061 0.120190 0.878924 O\n0.291362 0.605485 0.686188 O\n0.418154 0.117053 0.399106 O\n0.590895 0.571770 0.035121 O\n0.987312 0.473033 0.088036 O\n0.947583 0.856143 0.677916 O\n0.724898 0.723677 0.847019 O\n0.428230 0.409105 0.964879 O\n0.564479 0.282753 0.220701 O\n0.800238 0.035512 0.450244 O\n0.276323 0.275102 0.152981 O\n0.392233 0.407160 0.445660 O\n0.964488 0.199762 0.549756 O\n0.812367 0.736373 0.390839 O\n0.652546 0.888673 0.634458 O\n0.879810 0.944939 0.121076 O\n0.717247 0.435521 0.779299 O\n0.823700 0.988143 0.915776 O\n0.131886 0.731058 0.935146 O\n0.526967 0.012688 0.911964 O\n0.641040 0.174129 0.713059 O\n0.143857 0.052417 0.322084 O\n0.111327 0.347454 0.365542 O\n0.263627 0.187633 0.609161 O\n0.268942 0.868114 0.064854 O\n0.394515 0.708638 0.313812 O\n0.882947 0.581846 0.600894 O\n0.011857 0.176300 0.084224 O\n0.615816 0.831190 0.105567 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Te",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Te",
            "density": 4.739810736703913,
            "density_atomic": 0.06450638506588452,
            "volume": 806.1217497599511,
            "volume_molar": 9.335728166830616,
            "formula_full": "Te6 Mo10 O36",
            "formula_reduced": "Te3Mo5O18",
            "formula_anonymous": "A3B5C18",
            "energy": -394.01029741,
            "energy_per_atom": -7.577121104038462,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -337.25829741,
            "band_gap": 1.5547999999999995,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0011061,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.512000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1046192",
            "created_at": "2022-09-04T14:42:49.247504Z",
            "structure_string": "Sn10 Te6 O36\n1.0\n4.526491 7.794199 0.000000\n-4.526491 7.794199 0.000000\n0.000000 1.342515 11.028454\nSn Te O\n10 6 36\ndirect\n0.307066 0.003454 0.730283 Sn\n0.003454 0.307066 0.230283 Sn\n0.172366 0.517583 0.034783 Sn\n0.517583 0.172366 0.534783 Sn\n0.482417 0.827634 0.465217 Sn\n0.819593 0.180407 0.750000 Sn\n0.180407 0.819593 0.250000 Sn\n0.827634 0.482417 0.965217 Sn\n0.692934 0.996546 0.269717 Sn\n0.996546 0.692934 0.769717 Sn\n0.678758 0.659032 0.707213 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.659032 0.678758 0.207213 Te\n0.321242 0.340968 0.292787 Te\n0.340968 0.321242 0.792787 Te\n0.897990 0.615140 0.639801 O\n0.254225 0.936914 0.566229 O\n0.436344 0.751538 0.305533 O\n0.924566 0.924268 0.181961 O\n0.063086 0.745775 0.933771 O\n0.075732 0.075434 0.318039 O\n0.603497 0.607322 0.070959 O\n0.884971 0.230175 0.582847 O\n0.115029 0.769825 0.417153 O\n0.236893 0.287644 0.145202 O\n0.458682 0.756128 0.793271 O\n0.763107 0.712356 0.854798 O\n0.745775 0.063086 0.433771 O\n0.559561 0.916661 0.612464 O\n0.243872 0.541318 0.706729 O\n0.396503 0.392678 0.929041 O\n0.541318 0.243872 0.206729 O\n0.083339 0.440439 0.887536 O\n0.248462 0.563656 0.194467 O\n0.756128 0.458682 0.293271 O\n0.615140 0.897990 0.139801 O\n0.440439 0.083339 0.387536 O\n0.769825 0.115029 0.917153 O\n0.607322 0.603497 0.570959 O\n0.563656 0.248462 0.694467 O\n0.924268 0.924566 0.681961 O\n0.287644 0.236893 0.645202 O\n0.392678 0.396503 0.429041 O\n0.936914 0.254225 0.066229 O\n0.916661 0.559561 0.112464 O\n0.102010 0.384860 0.360199 O\n0.075434 0.075732 0.818039 O\n0.230175 0.884971 0.082847 O\n0.712356 0.763107 0.354798 O\n0.751538 0.436344 0.805533 O\n0.384860 0.102010 0.860199 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Sn",
                "Te",
                "O"
            ],
            "chemical_system": "O-Sn-Te",
            "density": 5.395912684884191,
            "density_atomic": 0.06682293714653978,
            "volume": 778.1759111540739,
            "volume_molar": 9.012086294252091,
            "formula_full": "Sn10 Te6 O36",
            "formula_reduced": "Sn5(TeO6)3",
            "formula_anonymous": "A3B5C18",
            "energy": -323.09447964000003,
            "energy_per_atom": -6.2133553776923085,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -298.36247964,
            "band_gap": 0.3612000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000988,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.574000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1046138",
            "created_at": "2022-09-04T14:39:39.238223Z",
            "structure_string": "Ti10 Te6 O36\n1.0\n4.461794 7.390566 0.000000\n-4.461794 7.390566 0.000000\n0.000000 1.029842 10.470075\nTi Te O\n10 6 36\ndirect\n0.504876 0.809368 0.001319 Ti\n0.192303 0.114020 0.491934 Ti\n0.353691 0.344688 0.288288 Ti\n0.715229 0.971359 0.792434 Ti\n0.655312 0.646309 0.711712 Ti\n0.019618 0.980382 0.000000 Ti\n0.386206 0.613794 0.500000 Ti\n0.028641 0.284771 0.207566 Ti\n0.885980 0.807697 0.508066 Ti\n0.190632 0.495124 0.998681 Ti\n0.865923 0.454489 0.936203 Te\n0.191905 0.809079 0.252799 Te\n0.190921 0.808095 0.747201 Te\n0.864252 0.479217 0.454179 Te\n0.520783 0.135748 0.545821 Te\n0.545511 0.134077 0.063797 Te\n0.109587 0.440328 0.869938 O\n0.427824 0.750621 0.796235 O\n0.619505 0.566902 0.538043 O\n0.115525 0.743624 0.426486 O\n0.249379 0.572176 0.203765 O\n0.256376 0.884475 0.573514 O\n0.816114 0.392095 0.308976 O\n0.112838 0.020700 0.833058 O\n0.291180 0.590209 0.664546 O\n0.417393 0.100025 0.398830 O\n0.635308 0.574331 0.032809 O\n0.982210 0.490774 0.100951 O\n0.956262 0.861496 0.687976 O\n0.752135 0.713247 0.847749 O\n0.425669 0.364692 0.967191 O\n0.568333 0.254282 0.221428 O\n0.750100 0.040480 0.455166 O\n0.286753 0.247865 0.152251 O\n0.433098 0.380495 0.461957 O\n0.959520 0.249900 0.544834 O\n0.818170 0.707645 0.381693 O\n0.641247 0.890937 0.626300 O\n0.979300 0.887162 0.166942 O\n0.745718 0.431667 0.778572 O\n0.811159 0.025807 0.923927 O\n0.138618 0.727250 0.919646 O\n0.509226 0.017790 0.899049 O\n0.607905 0.183886 0.691024 O\n0.138504 0.043738 0.312024 O\n0.109063 0.358753 0.373700 O\n0.292355 0.181830 0.618307 O\n0.272750 0.861382 0.080354 O\n0.409791 0.708820 0.335454 O\n0.899975 0.582607 0.601170 O\n0.974193 0.188841 0.076073 O\n0.559672 0.890413 0.130062 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Ti",
                "Te",
                "O"
            ],
            "chemical_system": "O-Te-Ti",
            "density": 4.377364910697859,
            "density_atomic": 0.07530717226721875,
            "volume": 690.505279038815,
            "volume_molar": 7.996769203643887,
            "formula_full": "Ti10 Te6 O36",
            "formula_reduced": "Ti5(TeO6)3",
            "formula_anonymous": "A3B5C18",
            "energy": -405.62911095,
            "energy_per_atom": -7.800559825961538,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -380.89711095,
            "band_gap": 1.0388999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.49e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.718000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1204985",
            "created_at": "2022-09-04T14:44:07.753016Z",
            "structure_string": "V20 H72 N12 O68\n1.0\n10.422594 0.000000 0.000000\n3.632097 9.780704 0.000000\n0.968080 1.668029 16.804212\nV H N O\n20 72 12 68\ndirect\n0.440793 0.188922 0.111830 V\n0.559207 0.811078 0.888170 V\n0.311925 0.868225 0.006962 V\n0.688075 0.131775 0.993038 V\n0.348235 0.938216 0.181903 V\n0.651765 0.061784 0.818097 V\n0.596548 0.879296 0.062752 V\n0.403452 0.120704 0.937248 V\n0.162101 0.167367 0.058942 V\n0.837899 0.832633 0.941058 V\n0.736428 0.588345 0.562060 V\n0.263572 0.411655 0.437940 V\n0.021316 0.655797 0.359257 V\n0.978684 0.344203 0.640743 V\n0.720920 0.639047 0.374244 V\n0.279080 0.360953 0.625756 V\n0.962207 0.392570 0.450292 V\n0.037793 0.607430 0.549708 V\n0.798382 0.844411 0.470804 V\n0.201618 0.155589 0.529196 V\n0.551153 0.317873 0.542453 H\n0.448847 0.682127 0.457547 H\n0.647962 0.220636 0.619023 H\n0.352038 0.779364 0.380977 H\n0.681319 0.169631 0.526169 H\n0.318681 0.830369 0.473831 H\n0.719074 0.307533 0.549535 H\n0.280926 0.692467 0.450465 H\n0.947797 0.549228 0.129319 H\n0.052203 0.450772 0.870681 H\n0.942293 0.424438 0.198435 H\n0.057707 0.575562 0.801565 H\n0.855743 0.586891 0.214443 H\n0.144257 0.413109 0.785557 H\n0.796730 0.517288 0.142314 H\n0.203270 0.482712 0.857686 H\n0.433083 0.007597 0.629437 H\n0.566917 0.992403 0.370563 H\n0.528119 0.910915 0.707045 H\n0.471881 0.089085 0.292955 H\n0.428351 0.846329 0.658076 H\n0.571649 0.153671 0.341924 H\n0.572112 0.864625 0.612854 H\n0.427888 0.135375 0.387146 H\n0.966928 0.899092 0.075298 H\n0.033072 0.100908 0.924702 H\n0.097941 0.879146 0.135751 H\n0.902059 0.120854 0.864249 H\n0.048196 0.745726 0.128245 H\n0.951804 0.254274 0.871755 H\n0.940209 0.882464 0.174568 H\n0.059791 0.117536 0.825432 H\n0.667262 0.432823 0.750498 H\n0.332738 0.567177 0.249502 H\n0.630784 0.346135 0.834724 H\n0.369216 0.653865 0.165276 H\n0.514489 0.412049 0.762993 H\n0.485511 0.587951 0.237007 H\n0.552001 0.521497 0.817459 H\n0.447999 0.478503 0.182541 H\n0.105476 0.023251 0.292084 H\n0.894524 0.976749 0.707916 H\n0.021431 0.116461 0.365672 H\n0.978569 0.883539 0.634328 H\n0.980344 0.978939 0.344538 H\n0.019656 0.021061 0.655462 H\n0.943024 0.126015 0.278310 H\n0.056976 0.873985 0.721690 H\n0.605884 0.592051 0.052576 H\n0.394116 0.407949 0.947424 H\n0.665017 0.428534 0.065999 H\n0.334983 0.571466 0.934001 H\n0.829254 0.530349 0.913132 H\n0.170746 0.469651 0.086868 H\n0.900378 0.396302 0.971054 H\n0.099622 0.603698 0.028946 H\n0.830426 0.722215 0.785533 H\n0.169574 0.277785 0.214467 H\n0.889373 0.647258 0.707558 H\n0.110627 0.352742 0.292442 H\n0.714915 0.977014 0.186988 H\n0.285085 0.022986 0.813012 H\n0.771245 0.900414 0.271741 H\n0.228755 0.099586 0.728259 H\n0.779619 0.162323 0.195783 H\n0.220381 0.837677 0.804217 H\n0.865012 0.245468 0.150888 H\n0.134988 0.754532 0.849112 H\n0.696457 0.301698 0.292207 H\n0.303543 0.698302 0.707793 H\n0.562176 0.359653 0.344629 H\n0.437824 0.640347 0.655371 H\n0.649767 0.254633 0.559029 N\n0.350233 0.745367 0.440971 N\n0.882716 0.519660 0.170491 N\n0.117284 0.480340 0.829509 N\n0.490192 0.908050 0.651654 N\n0.509808 0.091950 0.348346 N\n0.013551 0.851465 0.129032 N\n0.986449 0.148535 0.870968 N\n0.591108 0.429414 0.791595 N\n0.408892 0.570586 0.208405 N\n0.011986 0.060347 0.320683 N\n0.988014 0.939653 0.679317 N\n0.002210 0.273322 0.058969 O\n0.997790 0.726678 0.941031 O\n0.321807 0.874957 0.272584 O\n0.678193 0.125043 0.727416 O\n0.268629 0.750984 0.969323 O\n0.731371 0.249016 0.030677 O\n0.486148 0.302771 0.151621 O\n0.513852 0.697229 0.848379 O\n0.414458 0.077646 0.199825 O\n0.585542 0.922354 0.800175 O\n0.542288 0.830269 0.156209 O\n0.457712 0.169731 0.843791 O\n0.177308 0.066072 0.156463 O\n0.822692 0.933928 0.843537 O\n0.256133 0.276093 0.096335 O\n0.743867 0.723907 0.903665 O\n0.152172 0.017466 0.008260 O\n0.847828 0.982534 0.991740 O\n0.308889 0.819479 0.115233 O\n0.691111 0.180521 0.884767 O\n0.766761 0.780309 0.049564 O\n0.233239 0.219691 0.950436 O\n0.625854 0.041785 0.093798 O\n0.374146 0.958215 0.906202 O\n0.519127 0.773812 0.003942 O\n0.480873 0.226188 0.996058 O\n0.394801 0.022872 0.049486 O\n0.605199 0.977128 0.950514 O\n0.605554 0.645223 0.310837 O\n0.394446 0.354777 0.689163 O\n0.736026 0.010030 0.480445 O\n0.263974 0.989970 0.519555 O\n0.124563 0.678837 0.286275 O\n0.875437 0.321163 0.713725 O\n0.631455 0.564204 0.634390 O\n0.368545 0.435796 0.365610 O\n0.638938 0.601424 0.472245 O\n0.361062 0.398576 0.527755 O\n0.830820 0.440560 0.383416 O\n0.169180 0.559440 0.616584 O\n0.683892 0.821228 0.397646 O\n0.316108 0.178772 0.602354 O\n0.706448 0.772850 0.555168 O\n0.293552 0.227150 0.444832 O\n0.937489 0.829856 0.391493 O\n0.062511 0.170144 0.608507 O\n0.869907 0.656943 0.308303 O\n0.130093 0.343057 0.691697 O\n0.043732 0.216601 0.450810 O\n0.956268 0.783399 0.549190 O\n0.849016 0.391262 0.545853 O\n0.150984 0.608738 0.454147 O\n0.090472 0.448538 0.377035 O\n0.909528 0.551462 0.622965 O\n0.899190 0.605500 0.468066 O\n0.100810 0.394500 0.531934 O\n0.650428 0.512802 0.091366 O\n0.349572 0.487198 0.908634 O\n0.889939 0.433034 0.914734 O\n0.110061 0.566966 0.085266 O\n0.908684 0.698514 0.748619 O\n0.091316 0.301486 0.251381 O\n0.784440 0.964315 0.227620 O\n0.215560 0.035685 0.772380 O\n0.827174 0.225940 0.203500 O\n0.172826 0.774060 0.796500 O\n0.645868 0.279995 0.339422 O\n0.354132 0.720005 0.660578 O\n",
            "nsites": 172,
            "nelements": 4,
            "elements": [
                "V",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O-V",
            "density": 2.275515229902702,
            "density_atomic": 0.10040708492466126,
            "volume": 1713.0265272521085,
            "volume_molar": 5.997724926003589,
            "formula_full": "V20 H72 N12 O68",
            "formula_reduced": "V5H18N3O17",
            "formula_anonymous": "A3B5C17D18",
            "energy": -1119.34351065,
            "energy_per_atom": -6.507811108430233,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1034.29551065,
            "band_gap": 2.131,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0037467,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:29.531000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1225302",
            "created_at": "2022-09-04T14:42:42.546703Z",
            "structure_string": "Fe10 P6 O34\n1.0\n2.610044 -6.872748 0.000000\n2.610044 6.872748 0.000000\n0.000000 0.000000 16.750123\nFe P O\n10 6 34\ndirect\n0.997599 0.997599 0.500000 Fe\n0.997599 0.997599 0.000000 Fe\n0.928806 0.073128 0.656648 Fe\n0.073128 0.928806 0.343352 Fe\n0.928806 0.073128 0.843352 Fe\n0.073128 0.928806 0.156648 Fe\n0.434044 0.088685 0.639371 Fe\n0.088685 0.434044 0.360629 Fe\n0.434044 0.088685 0.860629 Fe\n0.088685 0.434044 0.139371 Fe\n0.342349 0.646552 0.544073 P\n0.646552 0.342349 0.455927 P\n0.342349 0.646552 0.955927 P\n0.646552 0.342349 0.044073 P\n0.523604 0.488822 0.750000 P\n0.488822 0.523604 0.250000 P\n0.653000 0.826037 0.557890 O\n0.826037 0.653000 0.442110 O\n0.653000 0.826037 0.942110 O\n0.826037 0.653000 0.057890 O\n0.339916 0.160518 0.436625 O\n0.160518 0.339916 0.563375 O\n0.339916 0.160518 0.063375 O\n0.160518 0.339916 0.936625 O\n0.659511 0.288900 0.542433 O\n0.288900 0.659511 0.457567 O\n0.659511 0.288900 0.957567 O\n0.288900 0.659511 0.042433 O\n0.267927 0.736629 0.604687 O\n0.736629 0.267927 0.395313 O\n0.267927 0.736629 0.895313 O\n0.736629 0.267927 0.104687 O\n0.758731 0.178043 0.688900 O\n0.178043 0.758731 0.311100 O\n0.758731 0.178043 0.811100 O\n0.178043 0.758731 0.188900 O\n0.704436 0.800864 0.750000 O\n0.800864 0.704436 0.250000 O\n0.307981 0.208109 0.250000 O\n0.208109 0.307981 0.750000 O\n0.087948 0.967726 0.608799 O\n0.967726 0.087948 0.391201 O\n0.087948 0.967726 0.891201 O\n0.967726 0.087948 0.108799 O\n0.590597 0.441455 0.672464 O\n0.441455 0.590597 0.327536 O\n0.590597 0.441455 0.827536 O\n0.441455 0.590597 0.172464 O\n0.338957 0.961819 0.750000 O\n0.961819 0.338957 0.250000 O\n",
            "nsites": 50,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 3.5598399956077436,
            "density_atomic": 0.08320391455306574,
            "volume": 600.9332646015234,
            "volume_molar": 7.2378094135934,
            "formula_full": "Fe10 P6 O34",
            "formula_reduced": "Fe5P3O17",
            "formula_anonymous": "A3B5C17",
            "energy": -377.51006756,
            "energy_per_atom": -7.550201351199999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.59206756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 42.0038014,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.256000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-1222077",
            "created_at": "2022-09-04T14:42:09.002537Z",
            "structure_string": "Mn5 Cu3 Te16 O40\n1.0\n6.250976 -6.342982 0.000000\n6.250976 6.342982 0.000000\n0.000000 0.000000 12.962786\nMn Cu Te O\n5 3 16 40\ndirect\n0.500000 0.500000 0.250712 Mn\n0.000000 0.000000 0.250610 Mn\n0.000000 0.000000 0.749390 Mn\n0.500000 0.500000 0.749288 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.713169 0.817610 0.867192 Te\n0.212606 0.684259 0.866347 Te\n0.787394 0.315741 0.866347 Te\n0.286831 0.182390 0.867192 Te\n0.681996 0.786547 0.367798 Te\n0.181709 0.714475 0.368023 Te\n0.818291 0.285525 0.368023 Te\n0.318004 0.213453 0.367798 Te\n0.786547 0.681996 0.632202 Te\n0.285525 0.818291 0.631977 Te\n0.714475 0.181709 0.631977 Te\n0.213453 0.318004 0.632202 Te\n0.817610 0.713169 0.132808 Te\n0.315741 0.787394 0.133653 Te\n0.684259 0.212606 0.133653 Te\n0.182390 0.286831 0.132808 Te\n0.728580 0.626529 0.798366 O\n0.227620 0.875167 0.797103 O\n0.772380 0.124833 0.797103 O\n0.271420 0.373471 0.798366 O\n0.872477 0.770427 0.297845 O\n0.372609 0.732032 0.299241 O\n0.627391 0.267968 0.299241 O\n0.127523 0.229573 0.297845 O\n0.770427 0.872477 0.702155 O\n0.267968 0.627391 0.700759 O\n0.732032 0.372609 0.700759 O\n0.229573 0.127523 0.702155 O\n0.626529 0.728580 0.201634 O\n0.124833 0.772380 0.202897 O\n0.875167 0.227620 0.202897 O\n0.373471 0.271420 0.201634 O\n0.579205 0.354784 0.882504 O\n0.077626 0.137860 0.888362 O\n0.922374 0.862140 0.888362 O\n0.420795 0.645216 0.882504 O\n0.137346 0.923155 0.388110 O\n0.636688 0.577249 0.387830 O\n0.363312 0.422751 0.387830 O\n0.862654 0.076845 0.388110 O\n0.923155 0.137346 0.611890 O\n0.422751 0.363312 0.612170 O\n0.577249 0.636688 0.612170 O\n0.076845 0.862654 0.611890 O\n0.354784 0.579205 0.117496 O\n0.862140 0.922374 0.111638 O\n0.137860 0.077626 0.111638 O\n0.645216 0.420795 0.117496 O\n0.201498 0.798502 0.000000 O\n0.696665 0.696665 0.000000 O\n0.303335 0.303335 0.000000 O\n0.798502 0.201498 0.000000 O\n0.701840 0.298160 0.500000 O\n0.201092 0.201092 0.500000 O\n0.798908 0.798908 0.500000 O\n0.298160 0.701840 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mn",
                "Cu",
                "Te",
                "O"
            ],
            "chemical_system": "Cu-Mn-O-Te",
            "density": 5.083501610157671,
            "density_atomic": 0.062260172048314376,
            "volume": 1027.9444770942089,
            "volume_molar": 9.672541147696752,
            "formula_full": "Mn5 Cu3 Te16 O40",
            "formula_reduced": "Mn5Cu3(Te2O5)8",
            "formula_anonymous": "A3B5C16D40",
            "energy": -405.52848161,
            "energy_per_atom": -6.33638252515625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -369.70848161,
            "band_gap": 0.4852000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0482746,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.603000Z",
            "spacegroup": 21
        },
        {
            "id": "mp-1199236",
            "created_at": "2022-09-04T14:46:01.540001Z",
            "structure_string": "Zn3 Fe16 Ni5 O32\n1.0\n-8.374997 0.000000 0.000000\n-0.000282 -8.399510 0.000000\n-0.009229 -0.017028 8.427720\nZn Fe Ni O\n3 16 5 32\ndirect\n0.004638 0.999865 0.998962 Zn\n0.496403 0.502154 0.999784 Zn\n0.249117 0.747558 0.749209 Zn\n0.499646 0.001408 0.505331 Fe\n0.001612 0.501657 0.506446 Fe\n0.749804 0.250362 0.746715 Fe\n0.248289 0.250669 0.244964 Fe\n0.749852 0.746408 0.248117 Fe\n0.874232 0.127154 0.375285 Fe\n0.124995 0.374543 0.874806 Fe\n0.623453 0.124190 0.126276 Fe\n0.874542 0.374664 0.126871 Fe\n0.874497 0.875246 0.623985 Fe\n0.376066 0.623637 0.375080 Fe\n0.373117 0.126515 0.873714 Fe\n0.876102 0.624149 0.874775 Fe\n0.624395 0.871891 0.873342 Fe\n0.626565 0.373649 0.374999 Fe\n0.124998 0.876440 0.373171 Fe\n0.624001 0.624872 0.625933 Ni\n0.372942 0.872249 0.123029 Ni\n0.125543 0.125724 0.626274 Ni\n0.126872 0.625608 0.122558 Ni\n0.374070 0.376000 0.626237 Ni\n0.388936 0.378505 0.374691 O\n0.616626 0.118716 0.882853 O\n0.104431 0.882274 0.613365 O\n0.875973 0.609932 0.113740 O\n0.130587 0.630293 0.371647 O\n0.861578 0.860935 0.859517 O\n0.641610 0.364734 0.142208 O\n0.371120 0.128959 0.637700 O\n0.878216 0.889092 0.385551 O\n0.883363 0.382406 0.887019 O\n0.390269 0.892053 0.880711 O\n0.107650 0.606872 0.881529 O\n0.111396 0.121348 0.378327 O\n0.622214 0.610815 0.378097 O\n0.624804 0.378240 0.610051 O\n0.625499 0.886971 0.123146 O\n0.109027 0.377005 0.112978 O\n0.384248 0.124038 0.113914 O\n0.383889 0.616347 0.610336 O\n0.876503 0.114401 0.610364 O\n0.635775 0.137479 0.369171 O\n0.642499 0.637712 0.868470 O\n0.138831 0.141863 0.867076 O\n0.361243 0.358403 0.868540 O\n0.369437 0.869523 0.373278 O\n0.864301 0.363911 0.366953 O\n0.130235 0.867377 0.139800 O\n0.127177 0.370477 0.637129 O\n0.641309 0.871704 0.626306 O\n0.871762 0.637769 0.637173 O\n0.865869 0.140495 0.141571 O\n0.367870 0.632739 0.140926 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Zn",
                "Fe",
                "Ni",
                "O"
            ],
            "chemical_system": "Fe-Ni-O-Zn",
            "density": 5.308285143066208,
            "density_atomic": 0.0944581242446045,
            "volume": 592.8553043778948,
            "volume_molar": 6.375460880850583,
            "formula_full": "Zn3 Fe16 Ni5 O32",
            "formula_reduced": "Zn3Fe16Ni5O32",
            "formula_anonymous": "A3B5C16D32",
            "energy": -414.02134858,
            "energy_per_atom": -7.3932383674999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -343.23634858,
            "band_gap": 1.0755,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 89.9982079,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.242000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1204473",
            "created_at": "2022-09-04T14:43:21.877102Z",
            "structure_string": "Li12 V20 H64 O88\n1.0\n0.000000 0.000000 -9.394305\n-0.000000 -10.502420 0.000000\n-17.855849 0.000000 0.000000\nLi V H O\n12 20 64 88\ndirect\n-0.000000 0.597002 0.766059 Li\n-0.000000 0.402998 0.233941 Li\n0.500000 0.902998 0.266059 Li\n0.500000 0.097002 0.733941 Li\n-0.000000 0.278900 0.696466 Li\n-0.000000 0.721100 0.303534 Li\n0.500000 0.221100 0.196466 Li\n0.500000 0.778900 0.803534 Li\n-0.000000 0.105289 0.564527 Li\n-0.000000 0.894711 0.435473 Li\n0.500000 0.394711 0.064527 Li\n0.500000 0.605289 0.935473 Li\n0.834005 0.161910 0.853392 V\n0.834005 0.838090 0.146608 V\n0.665995 0.338090 0.353392 V\n0.665995 0.661910 0.646608 V\n0.165995 0.838090 0.146608 V\n0.165995 0.161910 0.853392 V\n0.334005 0.661910 0.646608 V\n0.334005 0.338090 0.353392 V\n-0.000000 0.901684 0.858029 V\n-0.000000 0.098316 0.141971 V\n0.500000 0.598316 0.358029 V\n0.500000 0.401684 0.641971 V\n0.824236 0.000000 0.000000 V\n0.675764 0.500000 0.500000 V\n0.175764 0.000000 -0.000000 V\n0.324236 0.500000 0.500000 V\n-0.000000 0.736004 0.005025 V\n-0.000000 0.263996 0.994975 V\n0.500000 0.763996 0.505025 V\n0.500000 0.236004 0.494975 V\n0.840455 0.441748 0.846559 H\n0.840455 0.558252 0.153441 H\n0.659545 0.058252 0.346559 H\n0.659545 0.941748 0.653441 H\n0.159545 0.558252 0.153441 H\n0.159545 0.441748 0.846559 H\n0.340455 0.941748 0.653441 H\n0.340455 0.058252 0.346559 H\n0.763380 0.477696 0.770083 H\n0.763380 0.522304 0.229917 H\n0.736620 0.022304 0.270083 H\n0.736620 0.977696 0.729917 H\n0.236620 0.522304 0.229917 H\n0.236620 0.477696 0.770083 H\n0.263380 0.977696 0.729917 H\n0.263380 0.022304 0.270083 H\n0.917182 0.494704 0.637044 H\n0.917182 0.505296 0.362956 H\n0.582818 0.005296 0.137044 H\n0.582818 0.994704 0.862956 H\n0.082818 0.505296 0.362956 H\n0.082818 0.494704 0.637044 H\n0.417182 0.994704 0.862956 H\n0.417182 0.005296 0.137044 H\n0.783216 0.138334 0.654075 H\n0.783216 0.861666 0.345925 H\n0.716784 0.361666 0.154075 H\n0.716784 0.638334 0.845925 H\n0.216784 0.861666 0.345925 H\n0.216784 0.138334 0.654075 H\n0.283216 0.638334 0.845925 H\n0.283216 0.361666 0.154075 H\n0.776983 0.264183 0.607027 H\n0.776983 0.735817 0.392973 H\n0.723017 0.235817 0.107027 H\n0.723017 0.764183 0.892973 H\n0.223017 0.735817 0.392973 H\n0.223017 0.264183 0.607027 H\n0.276983 0.764183 0.892973 H\n0.276983 0.235817 0.107027 H\n0.917410 0.296807 0.464655 H\n0.917410 0.703193 0.535345 H\n0.582590 0.203193 0.964655 H\n0.582590 0.796807 0.035345 H\n0.082590 0.703193 0.535345 H\n0.082590 0.296807 0.464655 H\n0.417410 0.796807 0.035345 H\n0.417410 0.203193 0.964655 H\n-0.000000 0.942708 0.693570 H\n-0.000000 0.057292 0.306430 H\n0.500000 0.557292 0.193570 H\n0.500000 0.442708 0.806430 H\n-0.000000 0.875099 0.614600 H\n-0.000000 0.124901 0.385400 H\n0.500000 0.624901 0.114600 H\n0.500000 0.375099 0.885400 H\n0.772807 0.060079 0.474327 H\n0.772807 0.939921 0.525673 H\n0.727193 0.439921 0.974327 H\n0.727193 0.560079 0.025673 H\n0.227193 0.939921 0.525673 H\n0.227193 0.060079 0.474327 H\n0.272807 0.560079 0.025673 H\n0.272807 0.439921 0.974327 H\n-0.000000 0.212763 0.803875 O\n-0.000000 0.787237 0.196125 O\n0.500000 0.287237 0.303875 O\n0.500000 0.712763 0.696125 O\n0.855244 0.291643 0.926297 O\n0.855244 0.708357 0.073703 O\n0.644756 0.208357 0.426297 O\n0.644756 0.791643 0.573703 O\n0.144756 0.708357 0.073703 O\n0.144756 0.291643 0.926297 O\n0.355244 0.791643 0.573703 O\n0.355244 0.208357 0.426297 O\n0.704584 0.215548 0.802076 O\n0.704584 0.784452 0.197924 O\n0.795416 0.284452 0.302076 O\n0.795416 0.715548 0.697924 O\n0.295416 0.784452 0.197924 O\n0.295416 0.215548 0.802076 O\n0.204584 0.715548 0.697924 O\n0.204584 0.284452 0.302076 O\n0.854952 0.993311 0.815110 O\n0.854952 0.006689 0.184891 O\n0.645048 0.506689 0.315109 O\n0.645048 0.493311 0.684890 O\n0.145048 0.006689 0.184891 O\n0.145048 0.993311 0.815110 O\n0.354952 0.493311 0.684890 O\n0.354952 0.506689 0.315109 O\n-0.000000 0.067689 0.937075 O\n-0.000000 0.932311 0.062925 O\n0.500000 0.432311 0.437075 O\n0.500000 0.567689 0.562925 O\n-0.000000 0.767872 0.811641 O\n-0.000000 0.232128 0.188359 O\n0.500000 0.732128 0.311641 O\n0.500000 0.267872 0.688359 O\n0.865862 0.849390 0.943605 O\n0.865862 0.150610 0.056395 O\n0.634138 0.650610 0.443605 O\n0.634138 0.349390 0.556395 O\n0.134138 0.150610 0.056395 O\n0.134138 0.849390 0.943605 O\n0.365862 0.349390 0.556395 O\n0.365862 0.650610 0.443605 O\n0.713338 0.928217 0.066226 O\n0.713338 0.071783 0.933774 O\n0.786662 0.571783 0.566226 O\n0.786662 0.428217 0.433774 O\n0.286662 0.071783 0.933774 O\n0.286662 0.928217 0.066226 O\n0.213338 0.428217 0.433774 O\n0.213338 0.571783 0.566226 O\n-0.000000 0.610514 0.951979 O\n-0.000000 0.389486 0.048021 O\n0.500000 0.889486 0.451979 O\n0.500000 0.110514 0.548021 O\n0.828073 0.509763 0.809503 O\n0.828073 0.490237 0.190497 O\n0.671927 0.990237 0.309503 O\n0.671927 0.009763 0.690497 O\n0.171927 0.490237 0.190497 O\n0.171927 0.509763 0.809503 O\n0.328073 0.009763 0.690497 O\n0.328073 0.990237 0.309503 O\n-0.000000 0.470474 0.667932 O\n-0.000000 0.529526 0.332068 O\n0.500000 0.029526 0.167932 O\n0.500000 0.970474 0.832068 O\n0.844039 0.207585 0.633718 O\n0.844039 0.792415 0.366282 O\n0.655961 0.292415 0.133718 O\n0.655961 0.707585 0.866282 O\n0.155961 0.792415 0.366282 O\n0.155961 0.207585 0.633718 O\n0.344039 0.707585 0.866282 O\n0.344039 0.292415 0.133718 O\n-0.000000 0.240521 0.472323 O\n-0.000000 0.759479 0.527677 O\n0.500000 0.259479 0.972323 O\n0.500000 0.740521 0.027677 O\n-0.000000 0.958395 0.639743 O\n-0.000000 0.041605 0.360257 O\n0.500000 0.541605 0.139743 O\n0.500000 0.458395 0.860257 O\n0.836174 0.000000 0.500000 O\n0.663826 0.500000 0.000000 O\n0.163826 0.000000 0.500000 O\n0.336174 0.500000 -0.000000 O\n",
            "nsites": 184,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-O-V",
            "density": 2.426724644271436,
            "density_atomic": 0.10444394808726756,
            "volume": 1761.710499934949,
            "volume_molar": 5.765906852705562,
            "formula_full": "Li12 V20 H64 O88",
            "formula_reduced": "Li3V5(H8O11)2",
            "formula_anonymous": "A3B5C16D22",
            "energy": -1185.52096338,
            "energy_per_atom": -6.44304871402174,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1091.06496338,
            "band_gap": 2.4545,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024464,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:12.397000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-756736",
            "created_at": "2022-09-04T14:43:21.639124Z",
            "structure_string": "Mn3 Co5 O16\n1.0\n5.668120 -0.015770 -0.031226\n-2.847719 4.932798 0.000076\n-0.050462 -0.028987 8.611270\nMn Co O\n3 5 16\ndirect\n0.665061 0.832533 0.210886 Mn\n0.832689 0.664656 0.710592 Mn\n0.832658 0.168031 0.710586 Mn\n0.167508 0.831418 0.206819 Co\n0.335780 0.667901 0.483591 Co\n0.167511 0.336122 0.206833 Co\n0.334765 0.167404 0.705656 Co\n0.666545 0.333279 0.986156 Co\n0.172508 0.837259 0.601345 O\n0.045868 0.522971 0.337451 O\n0.328597 0.664284 0.096791 O\n0.006981 0.003513 0.318568 O\n0.004031 0.002026 0.820100 O\n0.172487 0.335274 0.601339 O\n0.474001 0.958236 0.342303 O\n0.474021 0.515772 0.342311 O\n0.333648 0.166820 0.104334 O\n0.657098 0.828554 0.598789 O\n0.515638 0.472448 0.842232 O\n0.515661 0.043230 0.842248 O\n0.665860 0.332954 0.595879 O\n0.835851 0.663047 0.102216 O\n0.959371 0.479659 0.846468 O\n0.835860 0.172808 0.102225 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Mn-O",
            "density": 4.942629518698933,
            "density_atomic": 0.09984549282319602,
            "volume": 240.37139105015606,
            "volume_molar": 6.03145979825435,
            "formula_full": "Mn3 Co5 O16",
            "formula_reduced": "Mn3Co5O16",
            "formula_anonymous": "A3B5C16",
            "energy": -173.29159492,
            "energy_per_atom": -7.220483121666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -149.10559492,
            "band_gap": 0.266,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9998824,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.318000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1353690",
            "created_at": "2022-09-04T14:41:25.726070Z",
            "structure_string": "Mn10 Cr6 O32\n1.0\n5.834219 0.000000 0.000000\n-2.913009 5.062268 0.000000\n-0.025453 -3.355016 19.065310\nMn Cr O\n10 6 32\ndirect\n0.750030 0.625063 0.624989 Mn\n0.249951 0.875044 0.875048 Mn\n0.499906 0.999821 0.999987 Mn\n0.999508 0.749574 0.750252 Mn\n0.750011 0.874946 0.875027 Mn\n0.500603 0.500660 0.499744 Mn\n0.750171 0.375965 0.375082 Mn\n0.249752 0.123950 0.124919 Mn\n0.250714 0.375897 0.375057 Mn\n0.749221 0.123967 0.124919 Mn\n0.749682 0.374754 0.875069 Cr\n0.250118 0.625115 0.624987 Cr\n0.250047 0.125034 0.624946 Cr\n0.750175 0.875215 0.375182 Cr\n0.000028 0.250082 0.249993 Cr\n0.250153 0.624951 0.124757 Cr\n0.396570 0.167063 0.933814 O\n0.836304 0.166800 0.933920 O\n0.883243 0.692104 0.926091 O\n0.663054 0.582985 0.816331 O\n0.103144 0.582757 0.816328 O\n0.101915 0.021062 0.816380 O\n0.397879 0.729200 0.933797 O\n0.896498 0.480227 0.684293 O\n0.837047 0.667829 0.433702 O\n0.334932 0.917764 0.684144 O\n0.616704 0.057810 0.823959 O\n0.115877 0.807399 0.574164 O\n0.384175 0.442675 0.675768 O\n0.603636 0.769972 0.565716 O\n0.103670 0.084219 0.316561 O\n0.603759 0.333416 0.566208 O\n0.896457 0.916814 0.683725 O\n0.397427 0.667935 0.433717 O\n0.398072 0.229113 0.433834 O\n0.616673 0.557670 0.323798 O\n0.664265 0.084321 0.316473 O\n0.883569 0.192583 0.425933 O\n0.383157 0.941996 0.176167 O\n0.165184 0.332471 0.565791 O\n0.601996 0.270566 0.066051 O\n0.102160 0.521889 0.317168 O\n0.896297 0.415751 0.183451 O\n0.897815 0.977979 0.182790 O\n0.116521 0.307651 0.074132 O\n0.335781 0.415472 0.183544 O\n0.163585 0.832380 0.066100 O\n0.602559 0.832084 0.066196 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Mn-O",
            "density": 4.049997501492614,
            "density_atomic": 0.08524511589942256,
            "volume": 563.0821131926591,
            "volume_molar": 7.06449946892593,
            "formula_full": "Mn10 Cr6 O32",
            "formula_reduced": "Mn5Cr3O16",
            "formula_anonymous": "A3B5C16",
            "energy": -345.69697481000003,
            "energy_per_atom": -7.202020308541667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -295.03897481,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2557737,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.403000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1019589",
            "created_at": "2022-09-04T14:41:09.053914Z",
            "structure_string": "Ce3 Zr5 O16\n1.0\n5.275688 -5.323877 0.000000\n5.275688 5.323877 0.000000\n0.000000 0.000000 5.359081\nCe Zr O\n3 5 16\ndirect\n0.256892 0.743108 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.743108 0.256892 0.000000 Ce\n0.500000 0.000000 0.500084 Zr\n0.247179 0.247179 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.752821 0.752821 0.000000 Zr\n0.000000 0.500000 0.499916 Zr\n0.481319 0.759717 0.307993 O\n0.244277 0.019408 0.222039 O\n0.270271 0.989029 0.723516 O\n0.521418 0.724413 0.790207 O\n0.518681 0.240283 0.307993 O\n0.275587 0.478582 0.209793 O\n0.240283 0.518681 0.692007 O\n0.478582 0.275587 0.790207 O\n0.010971 0.729729 0.276484 O\n0.755723 0.980592 0.222039 O\n0.729729 0.010971 0.723516 O\n0.980592 0.755723 0.777961 O\n0.989029 0.270271 0.276484 O\n0.724413 0.521418 0.209793 O\n0.759717 0.481319 0.692007 O\n0.019408 0.244277 0.777961 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ce",
                "Zr",
                "O"
            ],
            "chemical_system": "Ce-O-Zr",
            "density": 6.246603224369483,
            "density_atomic": 0.07972303209094023,
            "volume": 301.04223798993434,
            "volume_molar": 7.55382804950335,
            "formula_full": "Ce3 Zr5 O16",
            "formula_reduced": "Ce3Zr5O16",
            "formula_anonymous": "A3B5C16",
            "energy": -231.17005577,
            "energy_per_atom": -9.632085657083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -220.17805577,
            "band_gap": 1.7159999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.53e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.330000Z",
            "spacegroup": 21
        }
    ]
}