GET /third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10159
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=10160",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10158",
    "results": [
        {
            "id": "mp-1043300",
            "created_at": "2022-09-04T14:47:31.856905Z",
            "structure_string": "Cr4 O10\n1.0\n11.093942 0.000000 0.000000\n0.000000 5.861146 -1.806982\n0.000000 0.000000 3.613964\nCr O\n4 10\ndirect\n0.151131 0.906258 0.953129 Cr\n0.348869 0.093742 0.546871 Cr\n0.651131 0.093742 0.546871 Cr\n0.848869 0.906258 0.953129 Cr\n0.000000 0.021886 0.010943 O\n0.141005 0.637762 0.818882 O\n0.181354 0.995622 0.497811 O\n0.318646 0.004376 0.002188 O\n0.358995 0.362238 0.681118 O\n0.500000 0.978114 0.489057 O\n0.641005 0.362238 0.681118 O\n0.858995 0.637762 0.818882 O\n0.681354 0.004376 0.002188 O\n0.818646 0.995622 0.497811 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 2.600274346450069,
            "density_atomic": 0.0595766093555794,
            "volume": 234.99155375630465,
            "volume_molar": 10.10823010093981,
            "formula_full": "Cr4 O10",
            "formula_reduced": "Cr2O5",
            "formula_anonymous": "A2B5",
            "energy": -111.49281134,
            "energy_per_atom": -7.963772238571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.62681134,
            "band_gap": 0.6394000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0029611,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:10.586000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1397432",
            "created_at": "2022-09-04T14:42:11.156104Z",
            "structure_string": "Cr4 O10\n1.0\n3.637006 0.000002 0.000002\n0.000003 4.790715 0.000170\n0.000005 0.000422 11.037064\nCr O\n4 10\ndirect\n0.018570 0.883142 0.152546 Cr\n0.518568 0.117008 0.347403 Cr\n0.518569 0.116935 0.652568 Cr\n0.018570 0.882917 0.847433 Cr\n0.518577 0.992926 0.181231 O\n0.018576 0.007030 0.318764 O\n0.018579 0.007004 0.681250 O\n0.518579 0.992882 0.818776 O\n0.018574 0.553078 0.853441 O\n0.518573 0.446777 0.646610 O\n0.518569 0.446846 0.353413 O\n0.518554 0.991993 0.499974 O\n0.018562 0.008083 0.999969 O\n0.018571 0.553380 0.146622 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 3.1774118506288156,
            "density_atomic": 0.07279978931651415,
            "volume": 192.30824884851955,
            "volume_molar": 8.272195313392091,
            "formula_full": "Cr4 O10",
            "formula_reduced": "Cr2O5",
            "formula_anonymous": "A2B5",
            "energy": -111.46433125,
            "energy_per_atom": -7.961737946428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.59833125,
            "band_gap": 0.5167000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0005354,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.844000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-1402326",
            "created_at": "2022-09-04T14:46:39.856686Z",
            "structure_string": "Cr4 O10\n1.0\n3.391898 0.000000 0.000000\n0.000000 5.788294 0.000000\n0.000000 0.000000 9.602229\nCr O\n4 10\ndirect\n0.500000 0.209494 0.364868 Cr\n0.500000 0.790506 0.635132 Cr\n0.500000 0.709494 0.135132 Cr\n0.500000 0.290506 0.864868 Cr\n0.000000 0.297144 0.399568 O\n0.000000 0.702856 0.600432 O\n0.000000 0.797144 0.100432 O\n0.000000 0.202856 0.899568 O\n0.500000 0.555044 0.281146 O\n0.500000 0.444956 0.718854 O\n0.500000 0.055044 0.218854 O\n0.500000 0.944956 0.781146 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 3.241201263372295,
            "density_atomic": 0.07426131083989818,
            "volume": 188.52346991535,
            "volume_molar": 8.10939194567045,
            "formula_full": "Cr4 O10",
            "formula_reduced": "Cr2O5",
            "formula_anonymous": "A2B5",
            "energy": -109.0698706,
            "energy_per_atom": -7.790705042857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.2038706,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9997074,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:47.758000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1245327",
            "created_at": "2022-09-04T14:48:09.059642Z",
            "structure_string": "Cr32 O48\n1.0\n10.045989 0.364719 -0.393689\n0.346060 10.309521 -0.757160\n-0.384967 -0.735475 10.095292\nCr O\n32 48\ndirect\n0.214661 0.555304 0.098056 Cr\n0.683751 0.917306 0.645481 Cr\n0.289502 0.444724 0.801407 Cr\n0.800282 0.156602 0.747349 Cr\n0.742634 0.316185 0.400645 Cr\n0.834470 0.605247 0.863134 Cr\n0.121085 0.822156 0.125281 Cr\n0.842973 0.576134 0.517763 Cr\n0.281181 0.877520 0.872163 Cr\n0.688717 0.793285 0.365757 Cr\n0.034545 0.725051 0.384636 Cr\n0.068136 0.636649 0.721304 Cr\n0.492076 0.075053 0.400301 Cr\n0.566621 0.904735 0.886508 Cr\n0.761433 0.337700 0.029657 Cr\n0.433091 0.121373 0.742343 Cr\n0.306385 0.528814 0.544679 Cr\n0.391186 0.313568 0.296757 Cr\n0.296549 0.313955 0.004068 Cr\n0.321550 0.805847 0.582805 Cr\n0.622126 0.402027 0.697483 Cr\n0.046416 0.023587 0.619999 Cr\n0.595135 0.665993 0.644049 Cr\n0.645996 0.109365 0.171975 Cr\n0.344071 0.070912 0.110597 Cr\n0.003018 0.338060 0.602094 Cr\n0.172475 0.044715 0.404187 Cr\n0.851329 0.860500 0.975053 Cr\n0.385639 0.665455 0.324935 Cr\n0.856156 0.588187 0.143107 Cr\n0.559923 0.539408 0.969849 Cr\n0.051431 0.149297 0.906840 Cr\n0.222465 0.693786 0.437547 O\n0.679649 0.502442 0.122624 O\n0.618564 0.358852 0.888729 O\n0.913085 0.518475 0.695687 O\n0.433850 0.238110 0.119506 O\n0.439648 0.144543 0.570020 O\n0.747300 0.266711 0.623401 O\n0.188160 0.179562 0.042175 O\n0.645440 0.572215 0.807186 O\n0.047393 0.651226 0.181223 O\n0.160834 0.457766 0.638573 O\n0.992892 0.688786 0.557790 O\n0.150371 0.439982 0.936589 O\n0.244345 0.725169 0.728047 O\n0.243568 0.984462 0.573486 O\n0.636253 0.961276 0.460643 O\n0.778304 0.711249 0.030819 O\n0.315452 0.261044 0.817938 O\n0.404015 0.025064 0.913344 O\n0.991383 0.721219 0.886666 O\n0.508607 0.005008 0.206552 O\n0.842117 0.665423 0.332598 O\n0.714853 0.742531 0.541277 O\n0.565568 0.228011 0.350672 O\n0.114999 0.982973 0.807810 O\n0.313822 0.480123 0.257948 O\n0.444784 0.649134 0.517301 O\n0.916610 0.405358 0.444765 O\n0.499501 0.857844 0.688479 O\n0.628132 0.072852 0.772593 O\n0.859540 0.175104 0.928264 O\n0.758897 0.249775 0.192777 O\n0.690446 0.977068 0.022771 O\n0.730411 0.812697 0.803462 O\n0.037887 0.913935 0.428518 O\n0.305387 0.139913 0.314128 O\n0.050863 0.165426 0.493475 O\n0.465450 0.781371 0.925329 O\n0.877699 0.465462 0.976756 O\n0.855114 0.000858 0.657466 O\n0.380918 0.487424 0.992479 O\n0.284215 0.716897 0.169994 O\n0.963153 0.915437 0.127504 O\n0.993292 0.202155 0.733510 O\n0.666357 0.494510 0.544097 O\n0.537666 0.731142 0.281686 O\n0.428790 0.453081 0.681232 O\n0.234416 0.922780 0.053415 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 3.892824894478775,
            "density_atomic": 0.07712046114979887,
            "volume": 1037.3381954317922,
            "volume_molar": 7.808745785768303,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -698.8272979899999,
            "energy_per_atom": -8.735341224874999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -601.88329799,
            "band_gap": 0.3509000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 95.9993297,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:33.566000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1244988",
            "created_at": "2022-09-04T14:41:12.287364Z",
            "structure_string": "Cr32 O48\n1.0\n10.205390 -0.134992 0.087120\n-0.131870 10.241380 0.703199\n0.060356 0.683010 9.395024\nCr O\n32 48\ndirect\n0.160073 0.470173 0.476846 Cr\n0.745176 0.423003 0.256329 Cr\n0.485887 0.488782 0.866189 Cr\n0.860117 0.269645 0.544675 Cr\n0.633717 0.079887 0.350535 Cr\n0.030294 0.757027 0.851324 Cr\n0.085078 0.884895 0.264546 Cr\n0.691564 0.522088 0.589295 Cr\n0.249849 0.035801 0.857151 Cr\n0.566891 0.805675 0.463931 Cr\n0.932436 0.667456 0.349089 Cr\n0.281960 0.658508 0.007192 Cr\n0.352772 0.009873 0.414117 Cr\n0.360742 0.954268 0.144649 Cr\n0.858212 0.203189 0.128489 Cr\n0.511976 0.180466 0.902724 Cr\n0.309444 0.681366 0.327835 Cr\n0.314001 0.236378 0.559922 Cr\n0.067211 0.260821 0.811235 Cr\n0.270708 0.729566 0.664698 Cr\n0.969653 0.522785 0.733216 Cr\n0.050990 0.979781 0.618993 Cr\n0.539018 0.041452 0.650536 Cr\n0.713468 0.738280 0.860780 Cr\n0.141687 0.143488 0.103931 Cr\n0.081845 0.211280 0.376292 Cr\n0.824087 0.802524 0.554718 Cr\n0.772947 0.866821 0.186908 Cr\n0.531515 0.641440 0.147404 Cr\n0.363178 0.337457 0.181448 Cr\n0.975475 0.485949 0.049185 Cr\n0.760266 0.275613 0.867648 Cr\n0.000514 0.364912 0.439550 O\n0.938122 0.809026 0.171919 O\n0.814272 0.378147 0.048317 O\n0.063892 0.429103 0.886244 O\n0.582035 0.459867 0.207261 O\n0.876071 0.547881 0.217585 O\n0.892602 0.343988 0.715841 O\n0.430153 0.332790 0.976255 O\n0.630266 0.414889 0.766122 O\n0.116594 0.623592 0.330821 O\n0.292967 0.601017 0.526358 O\n0.496263 0.673361 0.352171 O\n0.339360 0.620069 0.834919 O\n0.193898 0.867072 0.769611 O\n0.941002 0.114424 0.510395 O\n0.673992 0.961762 0.525126 O\n0.031611 0.294581 0.170624 O\n0.390619 0.137052 0.727543 O\n0.315006 0.129592 0.214821 O\n0.110083 0.648552 0.020903 O\n0.180836 0.960031 0.067547 O\n0.509711 0.950766 0.301022 O\n0.420280 0.876955 0.577731 O\n0.657638 0.187659 0.031797 O\n0.218613 0.205263 0.923081 O\n0.922030 0.170297 0.950416 O\n0.193643 0.340679 0.647696 O\n0.776804 0.032560 0.236999 O\n0.204275 0.088680 0.508031 O\n0.900607 0.857710 0.728881 O\n0.091904 0.667296 0.699627 O\n0.426848 0.013106 0.959476 O\n0.672918 0.790291 0.070388 O\n0.869569 0.604523 0.558769 O\n0.745784 0.762909 0.367127 O\n0.251861 0.337664 0.375385 O\n0.046165 0.060533 0.268810 O\n0.656596 0.705509 0.644324 O\n0.655888 0.138980 0.758793 O\n0.080270 0.080387 0.767205 O\n0.374270 0.770067 0.113254 O\n0.574095 0.617936 0.947308 O\n0.996040 0.834755 0.453086 O\n0.722428 0.387156 0.466381 O\n0.893054 0.614821 0.886046 O\n0.263251 0.867022 0.336356 O\n0.483433 0.143648 0.468497 O\n0.351319 0.537846 0.152908 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.134061000330661,
            "density_atomic": 0.08189957149603246,
            "volume": 976.8060874882053,
            "volume_molar": 7.353079692598558,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -703.16644604,
            "energy_per_atom": -8.7895805755,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -606.22244604,
            "band_gap": 0.3521000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 95.9986281,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.325000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-776873",
            "created_at": "2022-09-04T14:41:54.741684Z",
            "structure_string": "Cr16 O24\n1.0\n-4.718437 4.718437 4.718437\n4.718437 -4.718437 4.718437\n4.718437 4.718437 -4.718437\nCr O\n16 24\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.538377 0.288377 0.250000 Cr\n0.038377 0.788377 0.250000 Cr\n0.788377 0.250000 0.038377 Cr\n0.211623 0.750000 0.961623 Cr\n0.750000 0.461623 0.711623 Cr\n0.750000 0.961623 0.211623 Cr\n0.250000 0.538377 0.288377 Cr\n0.250000 0.038377 0.788377 Cr\n0.711623 0.750000 0.461623 Cr\n0.288377 0.250000 0.538377 Cr\n0.461623 0.711623 0.750000 Cr\n0.961623 0.211623 0.750000 Cr\n0.005467 0.458516 0.732132 O\n0.726384 0.958516 0.953049 O\n0.773616 0.726665 0.232132 O\n0.494533 0.226665 0.453049 O\n0.453049 0.494533 0.226665 O\n0.267868 0.994533 0.541484 O\n0.046951 0.273616 0.041484 O\n0.232132 0.773616 0.726665 O\n0.041484 0.046951 0.273616 O\n0.773335 0.546951 0.505467 O\n0.726665 0.232132 0.773616 O\n0.458516 0.732132 0.005467 O\n0.226665 0.453049 0.494533 O\n0.958516 0.953049 0.726384 O\n0.541484 0.267868 0.994533 O\n0.273335 0.767868 0.226384 O\n0.732132 0.005467 0.458516 O\n0.546951 0.505467 0.773335 O\n0.953049 0.726384 0.958516 O\n0.767868 0.226384 0.273335 O\n0.994533 0.541484 0.267868 O\n0.273616 0.041484 0.046951 O\n0.505467 0.773335 0.546951 O\n0.226384 0.273335 0.767868 O\n",
            "nsites": 40,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.805081616474434,
            "density_atomic": 0.0951931104454536,
            "volume": 420.1984766840906,
            "volume_molar": 6.32623593432293,
            "formula_full": "Cr16 O24",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -366.19787239,
            "energy_per_atom": -9.15494680975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.72587239,
            "band_gap": 1.8986999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 47.9995954,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:34.140000Z",
            "spacegroup": 206
        },
        {
            "id": "mp-755749",
            "created_at": "2022-09-04T14:44:29.892238Z",
            "structure_string": "Cr8 O12\n1.0\n5.136699 -0.000003 0.000003\n-0.000003 5.299640 -0.000003\n0.000005 -0.000004 7.313979\nCr O\n8 12\ndirect\n0.249726 0.034272 0.394760 Cr\n0.250273 0.965728 0.894760 Cr\n0.749726 0.465728 0.894762 Cr\n0.750276 0.534272 0.394763 Cr\n0.249733 0.465712 0.605235 Cr\n0.250267 0.534286 0.105234 Cr\n0.749733 0.034287 0.105235 Cr\n0.750267 0.965711 0.605233 Cr\n0.050067 0.249999 0.000003 O\n0.449932 0.750000 0.500001 O\n0.550068 0.250000 0.500000 O\n0.949933 0.750000 0.000005 O\n0.108238 0.393461 0.348341 O\n0.108229 0.106538 0.651658 O\n0.391764 0.606539 0.848342 O\n0.391769 0.893463 0.151662 O\n0.608231 0.393464 0.151664 O\n0.608237 0.106539 0.848342 O\n0.891768 0.606538 0.651660 O\n0.891762 0.893463 0.348342 O\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 5.07038632612975,
            "density_atomic": 0.10044904209109497,
            "volume": 199.10593056589283,
            "volume_molar": 5.9952197000929655,
            "formula_full": "Cr8 O12",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -182.99815516,
            "energy_per_atom": -9.149907758000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.76215516,
            "band_gap": 2.3438,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:39.905000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1245257",
            "created_at": "2022-09-04T14:45:10.511179Z",
            "structure_string": "Cr32 O48\n1.0\n9.952483 -0.049835 -0.827094\n-0.081074 9.875496 0.320394\n-0.826563 0.321757 9.717287\nCr O\n32 48\ndirect\n0.895860 0.699383 0.601375 Cr\n0.680254 0.472294 0.455255 Cr\n0.133149 0.300938 0.864487 Cr\n0.311745 0.952415 0.349559 Cr\n0.399743 0.427939 0.133351 Cr\n0.797742 0.993913 0.208704 Cr\n0.287272 0.780129 0.712817 Cr\n0.288950 0.462063 0.653640 Cr\n0.321210 0.580250 0.410259 Cr\n0.592987 0.791018 0.996584 Cr\n0.861640 0.458989 0.800890 Cr\n0.969228 0.336674 0.138510 Cr\n0.689186 0.896812 0.443671 Cr\n0.511936 0.736966 0.271427 Cr\n0.112943 0.985975 0.818490 Cr\n0.586136 0.264251 0.726815 Cr\n0.606035 0.951591 0.728476 Cr\n0.891276 0.777495 0.953267 Cr\n0.069766 0.920745 0.504336 Cr\n0.118855 0.598815 0.921271 Cr\n0.253981 0.776098 0.087514 Cr\n0.983185 0.439374 0.475102 Cr\n0.085534 0.061743 0.133743 Cr\n0.674079 0.292806 0.041384 Cr\n0.855981 0.053758 0.913025 Cr\n0.557582 0.637470 0.652203 Cr\n0.758486 0.599888 0.193704 Cr\n0.299374 0.110304 0.622098 Cr\n0.397570 0.143844 0.005272 Cr\n0.211976 0.266058 0.354994 Cr\n0.877644 0.185594 0.598866 Cr\n0.554098 0.191724 0.375341 Cr\n0.191921 0.482598 0.787885 O\n0.488278 0.097698 0.661556 O\n0.935679 0.914053 0.815982 O\n0.046586 0.126695 0.925655 O\n0.736908 0.656971 0.999496 O\n0.056940 0.069837 0.624420 O\n0.205544 0.799951 0.879118 O\n0.694418 0.797655 0.216567 O\n0.279902 0.921340 0.559138 O\n0.275105 0.107266 0.822835 O\n0.573135 0.542626 0.220771 O\n0.246491 0.292221 0.576360 O\n0.523621 0.246116 0.169083 O\n0.116620 0.033094 0.339818 O\n0.034777 0.356606 0.326904 O\n0.937897 0.646127 0.802719 O\n0.311701 0.315211 0.987696 O\n0.307979 0.745909 0.294715 O\n0.444839 0.813520 0.084685 O\n0.473726 0.441152 0.708338 O\n0.817245 0.327934 0.462913 O\n0.834346 0.172197 0.081688 O\n0.162460 0.526478 0.492501 O\n0.717890 0.362476 0.861875 O\n0.881583 0.859422 0.468025 O\n0.329431 0.419380 0.309804 O\n0.089638 0.758466 0.619060 O\n0.357216 0.653166 0.604683 O\n0.016560 0.417526 0.957583 O\n0.533101 0.612535 0.451162 O\n0.675238 0.811693 0.624311 O\n0.748046 0.123982 0.723359 O\n0.740644 0.545944 0.639673 O\n0.262290 0.986117 0.131741 O\n0.502644 0.907115 0.360827 O\n0.056352 0.697599 0.062739 O\n0.491278 0.794129 0.796781 O\n0.553045 0.179272 0.918611 O\n0.927308 0.931586 0.085993 O\n0.147003 0.241649 0.160551 O\n0.798370 0.418219 0.151958 O\n0.849778 0.585218 0.410917 O\n0.290624 0.583417 0.051523 O\n0.715453 0.077683 0.372868 O\n0.714186 0.910127 0.908147 O\n0.576861 0.315275 0.517499 O\n0.967701 0.334624 0.703817 O\n0.364661 0.137820 0.402730 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.262878239741241,
            "density_atomic": 0.08445156013581896,
            "volume": 947.2885980003241,
            "volume_molar": 7.130881596876258,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -706.66701424,
            "energy_per_atom": -8.833337678,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -609.72301424,
            "band_gap": 0.6132,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 95.9998726,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:53.864000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1245064",
            "created_at": "2022-09-04T14:47:20.085244Z",
            "structure_string": "Cr32 O48\n1.0\n10.504236 0.474440 0.236169\n0.465622 9.970695 -0.196096\n0.234059 -0.206291 9.101934\nCr O\n32 48\ndirect\n0.532725 0.717164 0.645536 Cr\n0.375906 0.265844 0.782063 Cr\n0.659046 0.156292 0.937117 Cr\n0.378699 0.869895 0.472254 Cr\n0.386250 0.303979 0.114152 Cr\n0.743913 0.936612 0.150228 Cr\n0.507272 0.932886 0.845087 Cr\n0.060114 0.885460 0.297029 Cr\n0.234793 0.823451 0.838039 Cr\n0.749849 0.681131 0.885628 Cr\n0.858304 0.587198 0.178190 Cr\n0.036602 0.236543 0.320935 Cr\n0.603253 0.087502 0.561301 Cr\n0.832878 0.390232 0.900851 Cr\n0.948713 0.893020 0.813297 Cr\n0.131111 0.202776 0.829235 Cr\n0.782901 0.859444 0.536773 Cr\n0.922248 0.130026 0.064999 Cr\n0.839922 0.243229 0.588762 Cr\n0.479785 0.569837 0.922235 Cr\n0.314485 0.750528 0.127529 Cr\n0.104487 0.715160 0.535839 Cr\n0.252546 0.048478 0.081419 Cr\n0.467976 0.459865 0.467790 Cr\n0.648229 0.406841 0.715838 Cr\n0.118768 0.048723 0.586335 Cr\n0.094413 0.448358 0.003532 Cr\n0.186728 0.345700 0.590719 Cr\n0.166599 0.498115 0.308948 Cr\n0.585212 0.701391 0.256271 Cr\n0.691581 0.306641 0.295239 Cr\n0.506565 0.024875 0.260742 Cr\n0.253491 0.157201 0.659659 O\n0.528896 0.122773 0.772117 O\n0.989488 0.290380 0.950967 O\n0.920940 0.957717 0.176012 O\n0.824661 0.436242 0.678058 O\n0.054074 0.066434 0.397368 O\n0.103952 0.005840 0.809886 O\n0.670868 0.509279 0.906304 O\n0.648333 0.289967 0.528834 O\n0.090779 0.753346 0.744832 O\n0.170835 0.893608 0.122336 O\n0.193491 0.876050 0.489530 O\n0.362403 0.138815 0.207620 O\n0.086474 0.159807 0.142204 O\n0.679289 0.861554 0.340019 O\n0.011212 0.464071 0.211368 O\n0.296696 0.659592 0.930408 O\n0.172603 0.688039 0.279195 O\n0.715563 0.537736 0.280016 O\n0.749749 0.251332 0.794681 O\n0.870653 0.281794 0.376916 O\n0.764432 0.265810 0.080739 O\n0.192617 0.382417 0.807504 O\n0.810667 0.023259 0.948860 O\n0.788773 0.051364 0.579705 O\n0.478741 0.665064 0.445080 O\n0.142764 0.528410 0.523551 O\n0.379967 0.840135 0.691178 O\n0.290937 0.193607 0.954215 O\n0.372401 0.354784 0.584569 O\n0.661676 0.116075 0.287532 O\n0.579158 0.005501 0.039954 O\n0.822268 0.777825 0.730743 O\n0.360090 0.907396 0.970119 O\n0.733325 0.736327 0.095922 O\n0.245330 0.439259 0.114176 O\n0.472567 0.363524 0.928527 O\n0.466560 0.617726 0.129385 O\n0.422621 0.854460 0.261370 O\n0.175432 0.310473 0.378769 O\n0.912375 0.556583 0.970064 O\n0.954424 0.804096 0.450515 O\n0.566583 0.739761 0.856954 O\n0.500596 0.367378 0.278842 O\n0.607754 0.893556 0.632132 O\n0.507425 0.535342 0.681210 O\n0.024442 0.228732 0.643957 O\n0.447730 0.039989 0.465996 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.249568336173903,
            "density_atomic": 0.08418787863747357,
            "volume": 950.2555628523764,
            "volume_molar": 7.1532159468375465,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -706.7933412599998,
            "energy_per_atom": -8.834916765749998,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -609.84934126,
            "band_gap": 0.7688999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 95.9991653,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.470000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1245091",
            "created_at": "2022-09-04T14:48:06.318298Z",
            "structure_string": "Cr32 O48\n1.0\n10.186982 -0.277377 0.314436\n-0.267870 9.946666 0.378873\n0.305673 0.387382 9.529551\nCr O\n32 48\ndirect\n0.446534 0.299869 0.452511 Cr\n0.674265 0.285463 0.258574 Cr\n0.504223 0.513186 0.005781 Cr\n0.151352 0.489573 0.602312 Cr\n0.864535 0.139878 0.414630 Cr\n0.999242 0.852750 0.865062 Cr\n0.594413 0.965911 0.478898 Cr\n0.606552 0.735663 0.702285 Cr\n0.284494 0.315578 0.756490 Cr\n0.603061 0.604753 0.320806 Cr\n0.809550 0.624949 0.017426 Cr\n0.193700 0.862731 0.631869 Cr\n0.337593 0.936877 0.274385 Cr\n0.411436 0.857631 0.945779 Cr\n0.919032 0.068009 0.133656 Cr\n0.433251 0.231593 0.041482 Cr\n0.932882 0.750112 0.287113 Cr\n0.535823 0.442732 0.705583 Cr\n0.033284 0.148821 0.745451 Cr\n0.395668 0.650675 0.493566 Cr\n0.037350 0.371263 0.928549 Cr\n0.874985 0.928882 0.596220 Cr\n0.573360 0.125869 0.755533 Cr\n0.717803 0.923568 0.918419 Cr\n0.222294 0.041273 0.999658 Cr\n0.167248 0.138444 0.488817 Cr\n0.892739 0.503473 0.461506 Cr\n0.628903 0.998524 0.175228 Cr\n0.174795 0.669628 0.016548 Cr\n0.264754 0.482275 0.230576 Cr\n0.021389 0.333439 0.229460 Cr\n0.765450 0.293707 0.917923 Cr\n0.176101 0.467697 0.799253 O\n0.645445 0.600673 0.118949 O\n0.677203 0.110290 0.921921 O\n0.867958 0.480420 0.947300 O\n0.593952 0.414208 0.373190 O\n0.857891 0.337634 0.355646 O\n0.604760 0.576031 0.822743 O\n0.125494 0.467837 0.095617 O\n0.968232 0.502692 0.620282 O\n0.963775 0.700060 0.094960 O\n0.396962 0.593703 0.318496 O\n0.461164 0.830624 0.400432 O\n0.427961 0.372383 0.877551 O\n0.237792 0.679784 0.575438 O\n0.924662 0.285079 0.801244 O\n0.984819 0.104130 0.556387 O\n0.148020 0.286235 0.623521 O\n0.401459 0.391803 0.152840 O\n0.274805 0.866451 0.105950 O\n0.196431 0.828283 0.848745 O\n0.043372 0.978015 0.022387 O\n0.760736 0.117536 0.253322 O\n0.717775 0.820549 0.565531 O\n0.527435 0.153932 0.346575 O\n0.413969 0.080217 0.911162 O\n0.914072 0.261870 0.071169 O\n0.160132 0.213475 0.900770 O\n0.793961 0.924995 0.098216 O\n0.438802 0.210739 0.630825 O\n0.010475 0.811376 0.662579 O\n0.813368 0.757893 0.878238 O\n0.556810 0.902020 0.780544 O\n0.559087 0.867574 0.053382 O\n0.035240 0.627803 0.364839 O\n0.789446 0.627344 0.343624 O\n0.360802 0.448164 0.579592 O\n0.310206 0.110513 0.161943 O\n0.562467 0.607800 0.551897 O\n0.726320 0.079900 0.565711 O\n0.186433 0.046084 0.675420 O\n0.374903 0.655134 0.982472 O\n0.614808 0.320825 0.064006 O\n0.914928 0.900337 0.377031 O\n0.022462 0.146239 0.281695 O\n0.887686 0.990977 0.793598 O\n0.230153 0.964114 0.435511 O\n0.658645 0.312031 0.747564 O\n0.168489 0.355285 0.355994 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.196064782349617,
            "density_atomic": 0.08312792375742377,
            "volume": 962.3721655005917,
            "volume_molar": 7.244425805188225,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -698.85250478,
            "energy_per_atom": -8.73565630975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -601.90850478,
            "band_gap": 0.4679999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 95.9991487,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:31.859000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1181863",
            "created_at": "2022-09-04T14:42:05.250429Z",
            "structure_string": "Cr4 O6\n1.0\n4.934800 3.148292 9.056665\n-2.111961 2.951890 3.795792\n-3.471900 -4.146462 -3.086807\nCr O\n4 6\ndirect\n0.739515 0.232070 0.779913 Cr\n0.260485 0.767930 0.220087 Cr\n0.959602 0.732070 0.220087 Cr\n0.040398 0.267930 0.779913 Cr\n0.628394 0.693057 0.786371 O\n0.076170 0.250000 0.152340 O\n0.157978 0.806943 0.786371 O\n0.371606 0.306943 0.213629 O\n0.923830 0.750000 0.847660 O\n0.842022 0.193057 0.213629 O\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 3.5343520093670846,
            "density_atomic": 0.07001878178869471,
            "volume": 142.818822957794,
            "volume_molar": 8.60075055029355,
            "formula_full": "Cr4 O6",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -88.7237305,
            "energy_per_atom": -8.87237305,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.6057305,
            "band_gap": 1.2217000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0000084,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:33.488000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1245247",
            "created_at": "2022-09-04T14:40:24.206282Z",
            "structure_string": "Cr32 O48\n1.0\n10.109472 -0.103210 -0.386977\n-0.110463 9.593091 0.041097\n-0.391208 0.033533 9.702881\nCr O\n32 48\ndirect\n0.625768 0.525695 0.440800 Cr\n0.589784 0.164374 0.501794 Cr\n0.727154 0.135509 0.867374 Cr\n0.330949 0.948811 0.483147 Cr\n0.569903 0.372025 0.162956 Cr\n0.716332 0.089772 0.155923 Cr\n0.417059 0.900405 0.847211 Cr\n0.925748 0.713012 0.489908 Cr\n0.383197 0.664259 0.667073 Cr\n0.639353 0.706139 0.934832 Cr\n0.866017 0.617004 0.756031 Cr\n0.067369 0.354671 0.294784 Cr\n0.693172 0.827412 0.292435 Cr\n0.830471 0.525298 0.128610 Cr\n0.897071 0.818456 0.002318 Cr\n0.826786 0.286392 0.654749 Cr\n0.655681 0.902608 0.661088 Cr\n0.074698 0.355402 0.833746 Cr\n0.896967 0.008996 0.485654 Cr\n0.339892 0.571767 0.966223 Cr\n0.407541 0.852122 0.146584 Cr\n0.124420 0.861460 0.733424 Cr\n0.012733 0.082841 0.955235 Cr\n0.801327 0.300703 0.354859 Cr\n0.545930 0.363690 0.886808 Cr\n0.339526 0.397084 0.614505 Cr\n0.100515 0.625747 0.090990 Cr\n0.150618 0.144303 0.612312 Cr\n0.273351 0.173654 0.063449 Cr\n0.369850 0.603723 0.359439 Cr\n0.113661 0.945606 0.271070 Cr\n0.327400 0.282059 0.352563 Cr\n0.178725 0.340818 0.676007 O\n0.279644 0.990632 0.678438 O\n0.925840 0.610982 0.971025 O\n0.828777 0.015566 0.009739 O\n0.896448 0.303169 0.186804 O\n0.823070 0.990465 0.291758 O\n0.044131 0.895064 0.901280 O\n0.756604 0.728099 0.118890 O\n0.753931 0.085537 0.597775 O\n0.019398 0.015647 0.652604 O\n0.033959 0.799518 0.156721 O\n0.199385 0.129497 0.421520 O\n0.628514 0.205089 0.293784 O\n0.117482 0.076127 0.125421 O\n0.311500 0.749208 0.497879 O\n0.162608 0.502118 0.946814 O\n0.471997 0.745870 0.992383 O\n0.036929 0.871585 0.432846 O\n0.549210 0.695577 0.338725 O\n0.664520 0.295913 0.758532 O\n0.948590 0.240131 0.483760 O\n0.641459 0.226424 0.016430 O\n0.235317 0.437336 0.421573 O\n0.912054 0.209421 0.832582 O\n0.782444 0.839631 0.496601 O\n0.465398 0.431862 0.306658 O\n0.008310 0.709019 0.670973 O\n0.277553 0.743871 0.813006 O\n0.167157 0.187646 0.895528 O\n0.462993 0.540466 0.542147 O\n0.523661 0.971875 0.511030 O\n0.579795 0.012676 0.806738 O\n0.775425 0.789424 0.823219 O\n0.358581 0.996356 0.007321 O\n0.585318 0.941343 0.173211 O\n0.292982 0.662109 0.155964 O\n0.411539 0.492954 0.793335 O\n0.413414 0.356692 0.027120 O\n0.309586 0.942291 0.282785 O\n0.215205 0.320565 0.186658 O\n0.722356 0.469344 0.277425 O\n0.005845 0.540580 0.242198 O\n0.636552 0.507491 0.006215 O\n0.694350 0.340696 0.507918 O\n0.535030 0.761997 0.741552 O\n0.787678 0.589210 0.557653 O\n0.932711 0.442432 0.729562 O\n0.422586 0.245974 0.529805 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O",
            "density": 4.29857419923411,
            "density_atomic": 0.08515873010413144,
            "volume": 939.4221814037928,
            "volume_molar": 7.071665761849869,
            "formula_full": "Cr32 O48",
            "formula_reduced": "Cr2O3",
            "formula_anonymous": "A2B3",
            "energy": -706.0869142199999,
            "energy_per_atom": -8.826086427749999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -609.14291422,
            "band_gap": 0.7144000000000004,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 95.9988702,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.170000Z",
            "spacegroup": 1
        }
    ]
}