GET /third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=117
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=total_magnetization&page=118",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=116",
    "results": [
        {
            "id": "mp-1297758",
            "created_at": "2022-09-04T14:47:03.825072Z",
            "structure_string": "La4 Fe4 Te4 O24\n1.0\n-2.635080 4.564081 -0.000766\n-0.001997 0.003511 -10.429474\n-7.901764 -4.562073 0.000023\nLa Fe Te O\n4 4 4 24\ndirect\n0.000001 0.500000 0.000009 La\n0.500004 0.500003 0.500002 La\n0.000002 0.999995 0.000006 La\n0.499999 0.000002 0.500004 La\n0.500004 0.750000 0.833527 Fe\n0.000000 0.249998 0.666480 Fe\n0.999995 0.750001 0.333468 Fe\n0.500002 0.250003 0.166417 Fe\n0.000003 0.749999 0.667237 Te\n0.499997 0.750000 0.167250 Te\n0.000001 0.249999 0.332763 Te\n0.500000 0.250001 0.832746 Te\n0.695282 0.644054 0.682665 O\n0.195285 0.644052 0.182659 O\n0.695283 0.144054 0.317339 O\n0.195283 0.144053 0.817350 O\n0.304718 0.355945 0.317342 O\n0.804716 0.355946 0.817350 O\n0.304718 0.855945 0.682666 O\n0.804713 0.855948 0.182660 O\n0.175631 0.644139 0.811867 O\n0.675629 0.644144 0.311861 O\n0.175629 0.144141 0.188138 O\n0.675629 0.144140 0.688147 O\n0.824368 0.355860 0.188140 O\n0.324371 0.355858 0.688147 O\n0.824369 0.855860 0.811869 O\n0.324370 0.855858 0.311862 O\n0.130310 0.644602 0.506911 O\n0.630312 0.644603 0.006915 O\n0.130315 0.144602 0.493095 O\n0.630312 0.144600 0.993090 O\n0.869688 0.355397 0.493097 O\n0.369686 0.355402 0.993091 O\n0.869692 0.855398 0.506914 O\n0.369684 0.855399 0.006917 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "La",
                "Fe",
                "Te",
                "O"
            ],
            "chemical_system": "Fe-La-O-Te",
            "density": 5.540731741193556,
            "density_atomic": 0.07178339788548817,
            "volume": 501.5087201281372,
            "volume_molar": 8.389322513830798,
            "formula_full": "La4 Fe4 Te4 O24",
            "formula_reduced": "LaFeTeO6",
            "formula_anonymous": "ABCD6",
            "energy": -269.68141005,
            "energy_per_atom": -7.491150279166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -244.16941005,
            "band_gap": 2.4782,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:44.386000Z",
            "spacegroup": 163
        },
        {
            "id": "mp-1211446",
            "created_at": "2022-09-04T14:44:20.425132Z",
            "structure_string": "Li28 P4 Se24\n1.0\n7.522624 0.000000 0.000000\n0.000000 10.376972 0.000000\n0.000000 0.000000 15.023995\nLi P Se\n28 4 24\ndirect\n0.238507 0.192660 0.317592 Li\n0.761493 0.692660 0.682408 Li\n0.261493 0.192660 0.817592 Li\n0.738507 0.692660 0.182408 Li\n0.974216 0.477318 0.269331 Li\n0.025784 0.977318 0.730669 Li\n0.525784 0.477318 0.769331 Li\n0.474216 0.977318 0.230669 Li\n0.169922 0.329530 0.026962 Li\n0.830078 0.829530 0.973038 Li\n0.330078 0.329530 0.526962 Li\n0.669922 0.829530 0.473038 Li\n0.058945 0.005461 0.108838 Li\n0.941055 0.505461 0.891162 Li\n0.441055 0.005461 0.608838 Li\n0.558945 0.505461 0.391162 Li\n0.448444 0.985042 0.044779 Li\n0.551556 0.485042 0.955221 Li\n0.051556 0.985042 0.544779 Li\n0.948444 0.485042 0.455221 Li\n0.385771 0.383748 0.218314 Li\n0.614229 0.883748 0.781686 Li\n0.114229 0.383748 0.718314 Li\n0.885771 0.883748 0.281686 Li\n0.651573 0.171246 0.128479 Li\n0.348427 0.671246 0.871521 Li\n0.848427 0.171246 0.628479 Li\n0.151573 0.671246 0.371521 Li\n0.232180 0.684769 0.115584 P\n0.767820 0.184769 0.884416 P\n0.267820 0.684769 0.615584 P\n0.732180 0.184769 0.384416 P\n0.237817 0.429331 0.370313 Se\n0.762183 0.929331 0.629687 Se\n0.262183 0.429331 0.870313 Se\n0.737817 0.929331 0.129687 Se\n0.722000 0.311150 0.265081 Se\n0.278000 0.811150 0.734919 Se\n0.778000 0.311150 0.765081 Se\n0.222000 0.811150 0.234919 Se\n0.302576 0.168702 0.143625 Se\n0.697424 0.668702 0.856375 Se\n0.197424 0.168702 0.643625 Se\n0.802576 0.668702 0.356375 Se\n0.503790 0.049309 0.394195 Se\n0.496210 0.549309 0.605805 Se\n0.996210 0.049309 0.894195 Se\n0.003790 0.549309 0.105805 Se\n0.979828 0.066295 0.386415 Se\n0.020172 0.566295 0.613585 Se\n0.520172 0.066295 0.886415 Se\n0.479828 0.566295 0.113585 Se\n0.210832 0.814938 0.997980 Se\n0.789168 0.314938 0.002020 Se\n0.289168 0.814938 0.497980 Se\n0.710832 0.314938 0.502020 Se\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Li",
                "P",
                "Se"
            ],
            "chemical_system": "Li-P-Se",
            "density": 3.133723140954725,
            "density_atomic": 0.047748814836462754,
            "volume": 1172.8039783143756,
            "volume_molar": 12.612126145173496,
            "formula_full": "Li28 P4 Se24",
            "formula_reduced": "Li7PSe6",
            "formula_anonymous": "AB6C7",
            "energy": -224.06899884,
            "energy_per_atom": -4.0012321221428575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -212.74099884,
            "band_gap": 0.9336,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:39.321000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-560668",
            "created_at": "2022-09-04T14:45:02.270021Z",
            "structure_string": "K8 Zn12 P16 O56\n1.0\n10.131047 0.000000 0.000000\n0.000000 10.254645 0.000000\n0.000000 0.000000 13.096558\nK Zn P O\n8 12 16 56\ndirect\n0.226819 0.343391 0.778055 K\n0.273181 0.656609 0.278055 K\n0.902993 0.481085 0.004096 K\n0.097007 0.981085 0.495904 K\n0.726819 0.156609 0.221945 K\n0.597007 0.518915 0.504096 K\n0.402993 0.018915 0.995904 K\n0.773181 0.843391 0.721945 K\n0.799090 0.097633 0.921930 Zn\n0.349317 0.014245 0.297404 Zn\n0.849317 0.485755 0.702596 Zn\n0.650683 0.514245 0.202596 Zn\n0.299090 0.402367 0.078070 Zn\n0.977884 0.814231 0.134615 Zn\n0.150683 0.985755 0.797404 Zn\n0.477884 0.685769 0.865385 Zn\n0.522116 0.185769 0.634615 Zn\n0.022116 0.314231 0.365385 Zn\n0.700910 0.902367 0.421930 Zn\n0.200910 0.597633 0.578070 Zn\n0.558306 0.413215 0.798237 P\n0.723139 0.797869 0.998513 P\n0.427006 0.327180 0.303061 P\n0.058306 0.086785 0.201763 P\n0.941694 0.586785 0.298237 P\n0.441694 0.913215 0.701763 P\n0.072994 0.672820 0.803061 P\n0.905110 0.691200 0.505321 P\n0.594890 0.308800 0.005321 P\n0.223139 0.702131 0.001487 P\n0.276861 0.297869 0.501487 P\n0.405110 0.808800 0.494679 P\n0.927006 0.172820 0.696939 P\n0.776861 0.202131 0.498513 P\n0.572994 0.827180 0.196939 P\n0.094890 0.191200 0.994679 P\n0.736728 0.089674 0.428297 O\n0.439048 0.897649 0.198001 O\n0.555636 0.808116 0.488850 O\n0.144161 0.120507 0.099222 O\n0.173236 0.617334 0.727114 O\n0.673236 0.882666 0.272886 O\n0.662202 0.267147 0.555003 O\n0.263272 0.589674 0.071703 O\n0.128115 0.632884 0.915997 O\n0.143693 0.805961 0.057144 O\n0.445804 0.178904 0.296669 O\n0.060952 0.102351 0.698001 O\n0.763272 0.910326 0.928297 O\n0.054196 0.821096 0.796669 O\n0.356307 0.194039 0.557144 O\n0.644161 0.379493 0.900778 O\n0.658345 0.477027 0.726844 O\n0.854576 0.832528 0.498811 O\n0.945804 0.321096 0.703331 O\n0.145424 0.332528 0.001189 O\n0.055636 0.691884 0.511150 O\n0.855839 0.620507 0.400778 O\n0.841655 0.522973 0.226844 O\n0.944364 0.191884 0.988850 O\n0.165526 0.114735 0.910625 O\n0.939048 0.602351 0.801999 O\n0.371885 0.367116 0.415997 O\n0.053926 0.495278 0.330060 O\n0.665526 0.385265 0.089375 O\n0.334474 0.885265 0.410625 O\n0.326764 0.382666 0.227114 O\n0.643693 0.694039 0.942856 O\n0.834474 0.614735 0.589375 O\n0.497534 0.285912 0.760171 O\n0.871885 0.132884 0.584003 O\n0.997534 0.214088 0.239829 O\n0.341655 0.977027 0.773156 O\n0.158345 0.022973 0.273156 O\n0.355839 0.879493 0.599222 O\n0.645424 0.167472 0.998811 O\n0.502466 0.785912 0.739829 O\n0.837798 0.732853 0.055003 O\n0.446074 0.504722 0.830060 O\n0.553926 0.004722 0.669940 O\n0.444364 0.308116 0.011150 O\n0.354576 0.667472 0.501189 O\n0.946074 0.995278 0.169940 O\n0.826764 0.117334 0.772886 O\n0.856307 0.305961 0.442856 O\n0.002466 0.714088 0.260171 O\n0.162202 0.232853 0.444997 O\n0.236728 0.410326 0.571703 O\n0.560952 0.397649 0.301999 O\n0.554196 0.678904 0.203331 O\n0.337798 0.767147 0.944997 O\n0.628115 0.867116 0.084003 O\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "K",
                "Zn",
                "P",
                "O"
            ],
            "chemical_system": "K-O-P-Zn",
            "density": 3.0379730055209047,
            "density_atomic": 0.06761696854218276,
            "volume": 1360.6052146896518,
            "volume_molar": 8.90625665396859,
            "formula_full": "K8 Zn12 P16 O56",
            "formula_reduced": "K2Zn3(P2O7)2",
            "formula_anonymous": "A2B3C4D14",
            "energy": -620.79865594,
            "energy_per_atom": -6.747811477608695,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -582.32665594,
            "band_gap": 4.2079,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:49.520000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-753945",
            "created_at": "2022-09-04T14:45:37.343233Z",
            "structure_string": "Cl4 O4 F12\n1.0\n4.972977 0.000000 0.000000\n-0.073792 7.977087 0.000000\n-0.018748 -1.736773 7.786166\nCl O F\n4 4 12\ndirect\n0.512487 0.719873 0.742269 Cl\n0.019509 0.838261 0.183314 Cl\n0.980491 0.161739 0.816686 Cl\n0.487513 0.280127 0.257731 Cl\n0.641844 0.571019 0.768271 O\n0.175699 0.840698 0.332270 O\n0.824301 0.159302 0.667730 O\n0.358156 0.428981 0.231729 O\n0.763560 0.876507 0.868491 F\n0.642580 0.770484 0.567050 F\n0.753001 0.292464 0.969976 F\n0.742112 0.961756 0.286093 F\n0.243344 0.622350 0.614342 F\n0.180331 0.334648 0.843484 F\n0.819669 0.665352 0.156516 F\n0.756656 0.377650 0.385658 F\n0.246999 0.707536 0.030024 F\n0.257888 0.038244 0.713907 F\n0.357420 0.229516 0.432950 F\n0.236440 0.123493 0.131509 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Cl",
                "O",
                "F"
            ],
            "chemical_system": "Cl-F-O",
            "density": 2.3320863916685086,
            "density_atomic": 0.06475086252136998,
            "volume": 308.87619440434975,
            "volume_molar": 9.300479600580593,
            "formula_full": "Cl4 O4 F12",
            "formula_reduced": "ClOF3",
            "formula_anonymous": "ABC3",
            "energy": -68.49735933,
            "energy_per_atom": -3.4248679665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.20535932999999,
            "band_gap": 3.6499,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:01.541000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1102515",
            "created_at": "2022-09-04T14:45:40.158132Z",
            "structure_string": "Zn4 Se8\n1.0\n6.374129 0.000000 0.000000\n0.000000 6.374129 0.000000\n0.000000 0.000000 6.374129\nZn Se\n4 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.108523 0.891477 0.391477 Se\n0.891477 0.391477 0.108523 Se\n0.391477 0.108523 0.891477 Se\n0.608523 0.608523 0.608523 Se\n0.891477 0.108523 0.608523 Se\n0.108523 0.608523 0.891477 Se\n0.608523 0.891477 0.108523 Se\n0.391477 0.391477 0.391477 Se\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Zn",
                "Se"
            ],
            "chemical_system": "Se-Zn",
            "density": 5.727850373967437,
            "density_atomic": 0.04633601710862123,
            "volume": 258.97780493022333,
            "volume_molar": 12.996673291713558,
            "formula_full": "Zn4 Se8",
            "formula_reduced": "ZnSe2",
            "formula_anonymous": "AB2",
            "energy": -40.73620633,
            "energy_per_atom": -3.3946838608333336,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.96020633,
            "band_gap": 0.7291999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:06.743000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-9610",
            "created_at": "2022-09-04T14:44:10.739512Z",
            "structure_string": "Li2 C1 N2\n1.0\n-1.859369 1.859369 4.376202\n1.859369 -1.859369 4.376202\n1.859369 1.859369 -4.376202\nLi C N\n2 1 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 C\n0.141405 0.141405 0.000000 N\n0.858595 0.858595 0.000000 N\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Li",
                "C",
                "N"
            ],
            "chemical_system": "C-Li-N",
            "density": 1.4791032335562377,
            "density_atomic": 0.08261929423687688,
            "volume": 60.5185513406173,
            "volume_molar": 7.289024695289681,
            "formula_full": "Li2 C1 N2",
            "formula_reduced": "Li2CN2",
            "formula_anonymous": "AB2C2",
            "energy": -33.91420556,
            "energy_per_atom": -6.782841112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.19220556,
            "band_gap": 3.7395,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:28.099000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-769634",
            "created_at": "2022-09-04T14:45:38.689780Z",
            "structure_string": "Na12 Cr4 P4 C4 O28\n1.0\n0.061813 6.672457 5.295545\n0.061695 -6.672518 5.295624\n9.160489 0.000080 0.132531\nNa Cr P C O\n12 4 4 4 28\ndirect\n0.516252 0.266227 0.086497 Na\n0.016358 0.766282 0.086526 Na\n0.483791 0.733766 0.913503 Na\n0.983681 0.233629 0.913479 Na\n0.124763 0.122475 0.262731 Na\n0.624726 0.622347 0.262714 Na\n0.372504 0.874748 0.262723 Na\n0.872439 0.374631 0.262651 Na\n0.627458 0.125171 0.737361 Na\n0.127575 0.625219 0.737335 Na\n0.875262 0.877551 0.737350 Na\n0.375202 0.377450 0.737279 Na\n0.259292 0.509244 0.355565 Cr\n0.740702 0.490726 0.644464 Cr\n0.759163 0.009099 0.355519 Cr\n0.240516 0.990685 0.644351 Cr\n0.469513 0.219525 0.417643 P\n0.969475 0.719434 0.417625 P\n0.530505 0.780579 0.582402 P\n0.030482 0.280535 0.582382 P\n0.733917 0.983893 0.053961 C\n0.233902 0.483897 0.053909 C\n0.266115 0.016158 0.946027 C\n0.766119 0.516130 0.946084 C\n0.248230 0.998208 0.086506 O\n0.748203 0.498180 0.086545 O\n0.751805 0.001822 0.913457 O\n0.251950 0.501931 0.913466 O\n0.833133 0.083055 0.137507 O\n0.333023 0.583031 0.137571 O\n0.166885 0.917012 0.862462 O\n0.666937 0.416963 0.862505 O\n0.621621 0.871611 0.112681 O\n0.121535 0.371527 0.112565 O\n0.378451 0.128479 0.887307 O\n0.878443 0.628460 0.887362 O\n0.321774 0.071728 0.435945 O\n0.821742 0.571654 0.436010 O\n0.678276 0.928351 0.563986 O\n0.178233 0.428321 0.564043 O\n0.470862 0.720875 0.431115 O\n0.970851 0.220855 0.431095 O\n0.529222 0.279236 0.568905 O\n0.029178 0.779179 0.568878 O\n0.416242 0.352577 0.323879 O\n0.916308 0.852548 0.323833 O\n0.602601 0.166290 0.323841 O\n0.102628 0.666304 0.323830 O\n0.397373 0.833845 0.676150 O\n0.897336 0.333646 0.676175 O\n0.583770 0.647476 0.676146 O\n0.083675 0.147434 0.676153 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "Na",
                "Cr",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Cr-Na-O-P",
            "density": 2.8317546703626766,
            "density_atomic": 0.0803389769081729,
            "volume": 647.2574334551929,
            "volume_molar": 7.495914177352893,
            "formula_full": "Na12 Cr4 P4 C4 O28",
            "formula_reduced": "Na3CrPCO7",
            "formula_anonymous": "ABCD3E7",
            "energy": -373.29119266,
            "energy_per_atom": -7.178676781923077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -346.05919266,
            "band_gap": 2.4999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.342000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1206894",
            "created_at": "2022-09-04T14:47:04.165931Z",
            "structure_string": "Lu3 Al1 C1\n1.0\n4.747567 0.000000 0.000000\n0.000000 4.747567 0.000000\n0.000000 0.000000 4.747567\nLu Al C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Lu",
                "Al",
                "C"
            ],
            "chemical_system": "Al-C-Lu",
            "density": 8.750496135818159,
            "density_atomic": 0.04672579476105806,
            "volume": 107.00727565081614,
            "volume_molar": 12.888257526266708,
            "formula_full": "Lu3 Al1 C1",
            "formula_reduced": "Lu3AlC",
            "formula_anonymous": "ABC3",
            "energy": -28.94710624,
            "energy_per_atom": -5.789421248,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.94710624,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:52.501000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-558025",
            "created_at": "2022-09-04T14:45:09.100508Z",
            "structure_string": "Si36 O72\n1.0\n7.515454 0.000000 0.000000\n0.000000 14.277452 0.000000\n0.000000 0.000000 18.921635\nSi O\n36 72\ndirect\n0.221829 0.697354 0.666901 Si\n0.721829 0.802646 0.166901 Si\n0.207972 0.999502 0.773319 Si\n0.000000 0.500000 0.847608 Si\n0.511278 0.799435 0.583104 Si\n0.000000 0.500000 0.152392 Si\n0.988722 0.299435 0.083104 Si\n0.511278 0.799435 0.416896 Si\n0.190416 0.292288 0.317322 Si\n0.988722 0.299435 0.916896 Si\n0.809584 0.707712 0.317322 Si\n0.778171 0.302646 0.666901 Si\n0.278171 0.197354 0.166901 Si\n0.309584 0.792288 0.817322 Si\n0.690416 0.207712 0.182678 Si\n0.011278 0.700565 0.083104 Si\n0.309584 0.792288 0.182678 Si\n0.488722 0.200565 0.583104 Si\n0.707972 0.500498 0.273319 Si\n0.690416 0.207712 0.817322 Si\n0.292028 0.499502 0.273319 Si\n0.488722 0.200565 0.416896 Si\n0.292028 0.499502 0.726681 Si\n0.792028 0.000498 0.773319 Si\n0.221829 0.697354 0.333099 Si\n0.500000 0.000000 0.347608 Si\n0.190416 0.292288 0.682678 Si\n0.278171 0.197354 0.833099 Si\n0.809584 0.707712 0.682678 Si\n0.707972 0.500498 0.726681 Si\n0.207972 0.999502 0.226681 Si\n0.721829 0.802646 0.833099 Si\n0.011278 0.700565 0.916896 Si\n0.792028 0.000498 0.226681 Si\n0.778171 0.302646 0.333099 Si\n0.500000 0.000000 0.652392 Si\n0.833019 0.761549 0.899797 O\n0.757766 0.597356 0.686452 O\n0.179381 0.739128 0.871882 O\n0.795021 0.753232 0.761178 O\n0.820619 0.260872 0.871882 O\n0.987491 0.279947 0.654696 O\n0.442917 0.210330 0.500000 O\n0.704979 0.253232 0.261178 O\n0.295021 0.746768 0.738822 O\n0.512509 0.779947 0.845304 O\n0.833019 0.761549 0.100203 O\n0.476768 0.908807 0.397610 O\n0.751534 0.915429 0.171760 O\n0.795021 0.753232 0.238822 O\n0.666981 0.261549 0.399797 O\n0.204979 0.246768 0.761178 O\n0.248466 0.084571 0.828240 O\n0.295021 0.746768 0.261178 O\n0.242234 0.402644 0.313548 O\n0.500000 0.500000 0.249956 O\n0.679381 0.760872 0.371882 O\n0.748466 0.415429 0.671760 O\n0.175693 0.512900 0.201669 O\n0.000000 0.000000 0.250044 O\n0.204979 0.246768 0.238822 O\n0.976768 0.591193 0.897610 O\n0.487491 0.220053 0.845304 O\n0.748466 0.415429 0.328240 O\n0.251534 0.584571 0.671760 O\n0.179381 0.739128 0.128118 O\n0.704979 0.253232 0.738822 O\n0.023232 0.408807 0.102390 O\n0.333019 0.738451 0.600203 O\n0.324307 0.012900 0.298331 O\n0.242234 0.402644 0.686452 O\n0.987491 0.279947 0.345304 O\n0.012509 0.720053 0.345304 O\n0.257766 0.902644 0.186452 O\n0.820619 0.260872 0.128118 O\n0.679381 0.760872 0.628118 O\n0.500000 0.500000 0.750044 O\n0.942917 0.289670 0.000000 O\n0.166981 0.238451 0.100203 O\n0.057083 0.710330 0.000000 O\n0.675693 0.987100 0.701669 O\n0.320619 0.239128 0.628118 O\n0.012509 0.720053 0.654696 O\n0.512509 0.779947 0.154696 O\n0.751534 0.915429 0.828240 O\n0.333019 0.738451 0.399797 O\n0.824307 0.487100 0.201669 O\n0.257766 0.902644 0.813548 O\n0.476768 0.908807 0.602390 O\n0.675693 0.987100 0.298331 O\n0.320619 0.239128 0.371882 O\n0.757766 0.597356 0.313548 O\n0.557083 0.789670 0.500000 O\n0.251534 0.584571 0.328240 O\n0.976768 0.591193 0.102390 O\n0.324307 0.012900 0.701669 O\n0.248466 0.084571 0.171760 O\n0.523232 0.091193 0.397610 O\n0.166981 0.238451 0.899797 O\n0.487491 0.220053 0.154696 O\n0.742234 0.097356 0.186452 O\n0.742234 0.097356 0.813548 O\n0.000000 0.000000 0.749956 O\n0.523232 0.091193 0.602390 O\n0.824307 0.487100 0.798331 O\n0.023232 0.408807 0.897610 O\n0.666981 0.261549 0.600203 O\n0.175693 0.512900 0.798331 O\n",
            "nsites": 108,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.7690822039651897,
            "density_atomic": 0.053193573289383816,
            "volume": 2030.3204564291652,
            "volume_molar": 11.321181089373965,
            "formula_full": "Si36 O72",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -903.14778624,
            "energy_per_atom": -8.362479502222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -853.68378624,
            "band_gap": 5.6213,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:48.313000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-804",
            "created_at": "2022-09-04T14:44:26.521828Z",
            "structure_string": "Ga2 N2\n1.0\n1.608145 -2.785389 0.000000\n1.608145 2.785389 0.000000\n0.000000 0.000000 5.239962\nGa N\n2 2\ndirect\n0.666667 0.333333 0.499120 Ga\n0.333333 0.666667 0.999120 Ga\n0.666667 0.333333 0.875880 N\n0.333333 0.666667 0.375880 N\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ga",
                "N"
            ],
            "chemical_system": "Ga-N",
            "density": 5.923650599411056,
            "density_atomic": 0.08521004550366143,
            "volume": 46.9428220153705,
            "volume_molar": 7.067407046204701,
            "formula_full": "Ga2 N2",
            "formula_reduced": "GaN",
            "formula_anonymous": "AB",
            "energy": -25.35644937,
            "energy_per_atom": -6.3391123425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.63444937,
            "band_gap": 1.7264999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:37.856000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1233132",
            "created_at": "2022-09-04T14:44:20.154970Z",
            "structure_string": "Y4 Mg1 Bi4 O12\n1.0\n5.958498 0.126416 0.000003\n0.133423 6.398254 -0.000005\n0.000003 -0.000007 8.772616\nY Mg Bi O\n4 1 4 12\ndirect\n0.965223 0.996067 0.750001 Y\n0.551653 0.635604 0.250000 Y\n0.530088 0.518075 0.750000 Y\n0.971081 0.033405 0.249999 Y\n0.470361 0.205894 0.250000 Mg\n0.000056 0.488927 0.480016 Bi\n0.458827 0.970085 0.560975 Bi\n0.458827 0.970085 0.939025 Bi\n0.000056 0.488927 0.019984 Bi\n0.702323 0.315169 0.394576 O\n0.115854 0.111951 0.538286 O\n0.819402 0.782895 0.100442 O\n0.374688 0.629942 0.969981 O\n0.374689 0.629941 0.530019 O\n0.819401 0.782895 0.399558 O\n0.115853 0.111950 0.961714 O\n0.702323 0.315169 0.105424 O\n0.187008 0.396515 0.250001 O\n0.668981 0.202063 0.750000 O\n0.334725 0.932642 0.250000 O\n0.836910 0.679719 0.750000 O\n",
            "nsites": 21,
            "nelements": 4,
            "elements": [
                "Y",
                "Mg",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-O-Y",
            "density": 6.993072812530075,
            "density_atomic": 0.06281799683652975,
            "volume": 334.2991030842317,
            "volume_molar": 9.58664883197616,
            "formula_full": "Y4 Mg1 Bi4 O12",
            "formula_reduced": "Y4Mg(BiO3)4",
            "formula_anonymous": "AB4C4D12",
            "energy": -155.45607119,
            "energy_per_atom": -7.4026700566666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.21207119,
            "band_gap": 1.3918,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:39.983000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-759813",
            "created_at": "2022-09-04T14:41:13.672381Z",
            "structure_string": "Li8 Ti4 V4 O16\n1.0\n1.462476 0.856895 4.850532\n-2.920937 5.194417 -0.036553\n-6.173440 -6.853961 4.933557\nLi Ti V O\n8 4 4 16\ndirect\n0.999987 0.500002 0.500004 Li\n0.500007 0.749999 0.999997 Li\n0.999987 0.000002 0.500004 Li\n0.500012 0.249998 0.999996 Li\n0.500014 0.250008 0.499996 Li\n0.999990 0.500012 0.000006 Li\n0.500013 0.750006 0.499996 Li\n0.999991 0.000012 0.000006 Li\n0.249985 0.624972 0.250011 Ti\n0.750026 0.874959 0.749983 Ti\n0.249984 0.124967 0.250011 Ti\n0.750025 0.374953 0.749983 Ti\n0.749981 0.375008 0.249993 V\n0.250021 0.625012 0.750000 V\n0.749980 0.875008 0.249993 V\n0.250022 0.125012 0.750001 V\n0.895171 0.684019 0.368009 O\n0.395247 0.934019 0.868014 O\n0.895170 0.184011 0.368009 O\n0.395247 0.434014 0.868014 O\n0.604763 0.065999 0.131989 O\n0.104825 0.315996 0.631986 O\n0.604763 0.566004 0.131989 O\n0.104825 0.816005 0.631987 O\n0.364843 0.432249 0.364533 O\n0.864838 0.682251 0.864536 O\n0.364825 0.932251 0.364537 O\n0.864822 0.182251 0.864537 O\n0.135166 0.317749 0.135472 O\n0.635161 0.567749 0.635472 O\n0.135183 0.817748 0.135470 O\n0.635179 0.067746 0.635467 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "V",
                "O"
            ],
            "chemical_system": "Li-O-Ti-V",
            "density": 3.8821285635272407,
            "density_atomic": 0.10585308084044974,
            "volume": 302.3057972987387,
            "volume_molar": 5.689150199678226,
            "formula_full": "Li8 Ti4 V4 O16",
            "formula_reduced": "Li2TiVO4",
            "formula_anonymous": "ABC2D4",
            "energy": -250.38095769,
            "energy_per_atom": -7.8244049278125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -232.58895769,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.718000Z",
            "spacegroup": 10
        }
    ]
}