GET /third-parties/MatprojStructure/?format=api&ordering=elements&page=105
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=elements&page=106",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=104",
    "results": [
        {
            "id": "mp-1182868",
            "created_at": "2022-09-04T14:46:13.836880Z",
            "structure_string": "Al2 O6\n1.0\n2.711400 -4.696282 0.000000\n2.711400 4.696282 0.000000\n0.000000 0.000000 4.019635\nAl O\n2 6\ndirect\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.609560 0.000000 0.781343 O\n0.390440 0.390440 0.781343 O\n0.000000 0.609560 0.781343 O\n0.390440 0.000000 0.218657 O\n0.609560 0.609560 0.218657 O\n0.000000 0.390440 0.218657 O\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 2.4325324437980003,
            "density_atomic": 0.07814939373438012,
            "volume": 102.3680366247112,
            "volume_molar": 7.705934073485576,
            "formula_full": "Al2 O6",
            "formula_reduced": "AlO3",
            "formula_anonymous": "AB3",
            "energy": -49.07202661,
            "energy_per_atom": -6.13400332625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.95002661,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9987827,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.904000Z",
            "spacegroup": 162
        },
        {
            "id": "mp-1247839",
            "created_at": "2022-09-04T14:40:35.369923Z",
            "structure_string": "Al32 O48\n1.0\n6.189660 0.047707 -0.182209\n-3.163990 6.728021 -0.379700\n-0.371924 -1.537091 21.229418\nAl O\n32 48\ndirect\n0.424698 0.902330 0.180460 Al\n0.244806 0.380769 0.567085 Al\n0.191811 0.472468 0.943084 Al\n0.531413 0.523189 0.774361 Al\n0.848389 0.244217 0.206615 Al\n0.930400 0.521365 0.600649 Al\n0.412566 0.891540 0.415924 Al\n0.626231 0.665713 0.109265 Al\n0.616019 0.875988 0.909808 Al\n0.232606 0.088386 0.297383 Al\n0.230317 0.904348 0.583987 Al\n0.221367 0.063207 0.952231 Al\n0.590628 0.752118 0.623426 Al\n0.386993 0.086260 0.831372 Al\n0.378377 0.355344 0.194648 Al\n0.334097 0.161841 0.482991 Al\n0.723897 0.600034 0.504467 Al\n0.965013 0.732248 0.865260 Al\n0.904767 0.672516 0.231754 Al\n0.109609 0.107086 0.094680 Al\n0.730087 0.527212 0.983271 Al\n0.956013 0.883550 0.408268 Al\n0.950536 0.694712 0.716841 Al\n0.673361 0.392951 0.384076 Al\n0.643704 0.201152 0.696713 Al\n0.745491 0.054337 0.517940 Al\n0.012167 0.412163 0.797373 Al\n0.623660 0.180514 0.060446 Al\n0.730074 0.038565 0.322710 Al\n0.184741 0.414556 0.400010 Al\n0.797897 0.957364 0.781383 Al\n0.040617 0.520489 0.091155 Al\n0.033430 0.551196 0.002849 O\n0.977119 0.496999 0.178494 O\n0.884106 0.288979 0.360401 O\n0.810761 0.437107 0.674171 O\n0.180820 0.890256 0.225710 O\n0.027004 0.671861 0.535262 O\n0.294854 0.891762 0.897262 O\n0.351214 0.702624 0.113286 O\n0.232531 0.649960 0.390045 O\n0.262764 0.536418 0.762791 O\n0.955864 0.255093 0.073431 O\n0.939554 0.921478 0.323126 O\n0.037517 0.808526 0.649686 O\n0.133041 0.254699 0.242394 O\n0.231939 0.136197 0.564803 O\n0.198585 0.245307 0.906957 O\n0.679178 0.001565 0.237765 O\n0.914393 0.876301 0.939024 O\n0.718214 0.834726 0.548116 O\n0.505689 0.622761 0.969697 O\n0.602294 0.509189 0.579893 O\n0.358941 0.312022 0.355637 O\n0.614241 0.611617 0.189444 O\n0.248435 0.375689 0.479775 O\n0.638152 0.685140 0.849521 O\n0.572056 0.248824 0.944203 O\n0.470386 0.246987 0.765941 O\n0.616193 0.321561 0.248866 O\n0.758749 0.642626 0.421062 O\n0.629978 0.324627 0.464243 O\n0.863641 0.567775 0.784856 O\n0.303684 0.090269 0.035148 O\n0.599812 0.108732 0.138943 O\n0.687706 0.462623 0.066399 O\n0.891403 0.861183 0.097816 O\n0.438270 0.999402 0.340750 O\n0.677174 0.745450 0.717955 O\n0.429794 0.967227 0.503315 O\n0.642819 0.025950 0.840088 O\n0.518624 0.985274 0.639257 O\n0.684248 0.123239 0.972566 O\n0.743504 0.985715 0.430234 O\n0.868417 0.176925 0.747270 O\n0.915206 0.282716 0.564817 O\n0.016175 0.504001 0.880247 O\n0.757086 0.515252 0.292710 O\n0.273488 0.590960 0.619548 O\n0.073598 0.931681 0.799587 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.070219228256903,
            "density_atomic": 0.09066820694460243,
            "volume": 882.3379517020711,
            "volume_molar": 6.641954178799943,
            "formula_full": "Al32 O48",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -588.1778199400001,
            "energy_per_atom": -7.352222749250001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -565.85781994,
            "band_gap": 1.3845999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.9e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.781000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1245052",
            "created_at": "2022-09-04T14:45:21.207290Z",
            "structure_string": "Al40 O60\n1.0\n10.388244 -0.090680 0.845423\n-0.109426 10.841897 -0.197429\n0.810601 -0.202105 10.339281\nAl O\n40 60\ndirect\n0.250341 0.546326 0.502314 Al\n0.707991 0.110519 0.829517 Al\n0.970595 0.664415 0.308298 Al\n0.375679 0.645380 0.849686 Al\n0.397462 0.057045 0.550498 Al\n0.858823 0.341233 0.720557 Al\n0.140298 0.257001 0.581698 Al\n0.426708 0.168142 0.880952 Al\n0.133187 0.244875 0.280233 Al\n0.946847 0.577852 0.572646 Al\n0.732120 0.601962 0.820853 Al\n0.894471 0.095199 0.031469 Al\n0.667443 0.986357 0.505945 Al\n0.683759 0.898509 0.955623 Al\n0.073341 0.693125 0.756408 Al\n0.819522 0.321332 0.132134 Al\n0.047502 0.268649 0.891847 Al\n0.091744 0.956733 0.288207 Al\n0.545758 0.937282 0.269086 Al\n0.469079 0.929116 0.758418 Al\n0.422472 0.240686 0.406702 Al\n0.203400 0.739853 0.043145 Al\n0.471082 0.646450 0.346083 Al\n0.848027 0.117040 0.298404 Al\n0.309063 0.825363 0.460198 Al\n0.892853 0.086524 0.553403 Al\n0.123203 0.947727 0.605348 Al\n0.599965 0.401134 0.961241 Al\n0.603053 0.420174 0.423585 Al\n0.521715 0.672820 0.613202 Al\n0.368656 0.398241 0.232130 Al\n0.760037 0.780570 0.581692 Al\n0.547734 0.688137 0.044391 Al\n0.922222 0.384179 0.399506 Al\n0.206121 0.051672 0.030648 Al\n0.745366 0.543344 0.191987 Al\n0.286443 0.341184 0.999718 Al\n0.077143 0.479229 0.108166 Al\n0.842240 0.852515 0.237986 Al\n0.390009 0.385032 0.668207 Al\n0.314878 0.185043 0.027488 O\n0.303666 0.928449 0.600204 O\n0.885283 0.697667 0.488095 O\n0.679954 0.660968 0.679301 O\n0.909282 0.471038 0.124551 O\n0.868605 0.425662 0.573846 O\n0.059011 0.289001 0.448286 O\n0.885980 0.256534 0.969942 O\n0.993415 0.823394 0.288124 O\n0.580520 0.625528 0.194191 O\n0.587650 0.222088 0.898720 O\n0.055699 0.094302 0.607486 O\n0.809931 0.182092 0.700323 O\n0.422853 0.541958 0.712170 O\n0.801751 0.941762 0.592826 O\n0.427901 0.402976 0.058014 O\n0.444136 0.770047 0.756622 O\n0.574525 0.888093 0.103750 O\n0.744249 0.429444 0.827697 O\n0.189671 0.382056 0.173201 O\n0.298112 0.262811 0.314865 O\n0.060648 0.845794 0.719728 O\n0.169500 0.898068 0.425681 O\n0.764204 0.166103 0.170683 O\n0.800277 0.020282 0.924770 O\n0.603932 0.819521 0.538882 O\n0.564117 0.577757 0.458240 O\n0.014516 0.525536 0.377009 O\n0.191854 0.675640 0.873820 O\n0.564404 0.562742 0.918244 O\n0.699797 0.930404 0.327080 O\n0.332341 0.539469 0.332028 O\n0.821639 0.686538 0.230769 O\n0.910751 0.621966 0.756731 O\n0.105588 0.636375 0.147051 O\n0.762900 0.430113 0.337766 O\n0.964209 0.046530 0.385733 O\n0.353576 0.683897 0.518630 O\n0.074494 0.117705 0.955904 O\n0.708019 0.738343 0.943546 O\n0.375065 0.698128 0.019198 O\n0.949156 0.269156 0.258579 O\n0.302655 0.184912 0.555770 O\n0.474598 0.068279 0.379949 O\n0.530230 0.040401 0.629778 O\n0.188057 0.895776 0.086139 O\n0.437136 0.813730 0.327869 O\n0.752509 0.134028 0.461576 O\n0.137727 0.394975 0.952668 O\n0.152315 0.093530 0.206683 O\n0.112068 0.612127 0.595574 O\n0.351295 0.022451 0.855016 O\n0.512115 0.356184 0.305580 O\n0.607723 0.967695 0.834403 O\n0.363669 0.304205 0.816833 O\n0.031957 0.312112 0.731635 O\n0.688369 0.415150 0.095098 O\n0.513915 0.323490 0.542919 O\n0.255776 0.404879 0.580319 O\n0.905236 0.981584 0.148994 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 2.9277778441399933,
            "density_atomic": 0.08646169791953845,
            "volume": 1156.5814968503203,
            "volume_molar": 6.965096574444125,
            "formula_full": "Al40 O60",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -770.17768356,
            "energy_per_atom": -7.7017768356,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -728.95768356,
            "band_gap": 3.7275,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0065094,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.067000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1182886",
            "created_at": "2022-09-04T14:48:21.487692Z",
            "structure_string": "Al8 O24\n1.0\n5.430238 0.000000 0.000000\n0.000000 8.937896 0.000000\n0.000000 7.857697 9.279959\nAl O\n8 24\ndirect\n0.990553 0.833076 0.667423 Al\n0.509447 0.833076 0.167423 Al\n0.009447 0.166924 0.332577 Al\n0.490553 0.166924 0.832577 Al\n0.491473 0.667787 0.832677 Al\n0.008527 0.667787 0.332677 Al\n0.508527 0.332213 0.167323 Al\n0.991473 0.332213 0.667323 Al\n0.292928 0.715084 0.686149 O\n0.207072 0.715084 0.186149 O\n0.707072 0.284916 0.313851 O\n0.792928 0.284916 0.813851 O\n0.812549 0.217672 0.184021 O\n0.687451 0.217672 0.684021 O\n0.187451 0.782328 0.815979 O\n0.312549 0.782328 0.315979 O\n0.389534 0.411357 0.991284 O\n0.110466 0.411357 0.491284 O\n0.610466 0.588643 0.008716 O\n0.889534 0.588643 0.508716 O\n0.891259 0.914277 0.487606 O\n0.608741 0.914277 0.987606 O\n0.108741 0.085723 0.512394 O\n0.391259 0.085723 0.012394 O\n0.794024 0.608039 0.793416 O\n0.705976 0.608039 0.293416 O\n0.205976 0.391961 0.206584 O\n0.294024 0.391961 0.706584 O\n0.314380 0.106330 0.296277 O\n0.185620 0.106330 0.796277 O\n0.685620 0.893670 0.703723 O\n0.814380 0.893670 0.203723 O\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 2.211478836020017,
            "density_atomic": 0.07104765682859215,
            "volume": 450.401905262019,
            "volume_molar": 8.476198975187698,
            "formula_full": "Al8 O24",
            "formula_reduced": "AlO3",
            "formula_anonymous": "AB3",
            "energy": -195.94917221,
            "energy_per_atom": -6.1234116315625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.46117221,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.0007643,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:42.516000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1143",
            "created_at": "2022-09-04T14:47:28.577049Z",
            "structure_string": "Al4 O6\n1.0\n4.586845 -2.402514 0.000000\n4.586845 2.402514 0.000000\n3.328448 0.000000 3.966441\nAl O\n4 6\ndirect\n0.147904 0.147904 0.147904 Al\n0.352096 0.352096 0.352096 Al\n0.647904 0.647904 0.647904 Al\n0.852096 0.852096 0.852096 Al\n0.556146 0.943854 0.250000 O\n0.750000 0.443854 0.056146 O\n0.250000 0.556146 0.943854 O\n0.943854 0.250000 0.556146 O\n0.056146 0.750000 0.443854 O\n0.443854 0.056146 0.750000 O\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.8734983394693465,
            "density_atomic": 0.11439025129224205,
            "volume": 87.42003699644115,
            "volume_molar": 5.264557680369763,
            "formula_full": "Al4 O6",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -78.93557943,
            "energy_per_atom": -7.893557943,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.81357943,
            "band_gap": 5.853700000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.162000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1359927",
            "created_at": "2022-09-04T14:43:14.440064Z",
            "structure_string": "Al16 O24\n1.0\n-5.592100 0.000000 0.000000\n2.524008 5.312732 0.000000\n-0.805915 -2.831077 -13.883414\nAl O\n16 24\ndirect\n0.919394 0.122324 0.092536 Al\n0.967244 0.754001 0.267378 Al\n0.631966 0.480218 0.427100 Al\n0.409715 0.139406 0.121249 Al\n0.749870 0.229763 0.284455 Al\n0.269227 0.321051 0.261675 Al\n0.382708 0.927164 0.442227 Al\n0.128846 0.769889 0.817990 Al\n0.295734 0.152045 0.619716 Al\n0.109139 0.406500 0.448840 Al\n0.220535 0.643957 0.655101 Al\n0.681744 0.691508 0.607551 Al\n0.049548 0.211936 0.849367 Al\n0.614709 0.639621 0.842143 Al\n0.000314 0.649141 0.051759 Al\n0.519451 0.039777 0.939059 Al\n0.391456 0.047504 0.250742 O\n0.078317 0.503696 0.262965 O\n0.352357 0.901096 0.052189 O\n0.919225 0.049092 0.254094 O\n0.124525 0.363044 0.581499 O\n0.756591 0.319917 0.103801 O\n0.475792 0.863542 0.565715 O\n0.747948 0.199752 0.414609 O\n0.626396 0.503775 0.279841 O\n0.927690 0.819486 0.126217 O\n0.600681 0.401015 0.560070 O\n0.902698 0.632123 0.930609 O\n0.250743 0.346055 0.114644 O\n0.443302 0.673345 0.412662 O\n0.391267 0.273033 0.890821 O\n0.511268 0.571616 0.719521 O\n0.024592 0.839854 0.593332 O\n0.282252 0.207139 0.408819 O\n0.414570 0.753981 0.894780 O\n0.003024 0.687417 0.407598 O\n0.911883 0.942922 0.793014 O\n0.866253 0.133913 0.960065 O\n0.022715 0.477921 0.769996 O\n0.355177 0.969712 0.725775 O\n",
            "nsites": 40,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.283864580384104,
            "density_atomic": 0.09697747659581855,
            "volume": 412.4669088546351,
            "volume_molar": 6.209834459911757,
            "formula_full": "Al16 O24",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -278.17157726,
            "energy_per_atom": -6.9542894314999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.68357726,
            "band_gap": 0.9567999999999994,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003711,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:11.804000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1228138",
            "created_at": "2022-09-04T14:40:05.388487Z",
            "structure_string": "Al5 O8\n1.0\n0.000000 3.994806 3.994806\n3.994806 0.000000 3.994806\n3.994806 3.994806 0.000000\nAl O\n5 8\ndirect\n0.615726 0.128091 0.128091 Al\n0.128091 0.615726 0.128091 Al\n0.128091 0.128091 0.615726 Al\n0.128091 0.128091 0.128091 Al\n0.750000 0.750000 0.750000 Al\n0.350777 0.883074 0.883074 O\n0.883074 0.350777 0.883074 O\n0.883074 0.883074 0.350777 O\n0.883074 0.883074 0.883074 O\n0.914965 0.361678 0.361678 O\n0.361678 0.914965 0.361678 O\n0.361678 0.361678 0.914965 O\n0.361678 0.361678 0.361678 O\n",
            "nsites": 13,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.4239497825223313,
            "density_atomic": 0.10195916641526072,
            "volume": 127.50202318302033,
            "volume_molar": 5.906424083022551,
            "formula_full": "Al5 O8",
            "formula_reduced": "Al5O8",
            "formula_anonymous": "A5B8",
            "energy": -99.3059527,
            "energy_per_atom": -7.638919438461539,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.8099527,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.999822,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.005000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1182877",
            "created_at": "2022-09-04T14:44:10.124554Z",
            "structure_string": "Al2 O6\n1.0\n4.992190 0.000000 0.000000\n-0.406769 5.515513 0.000000\n-2.415344 -2.518409 4.292723\nAl O\n2 6\ndirect\n0.387875 0.694190 0.388034 Al\n0.612125 0.305810 0.611966 Al\n0.486546 0.621799 0.702969 O\n0.513454 0.378201 0.297031 O\n0.290004 0.024438 0.497779 O\n0.709996 0.975562 0.502221 O\n0.929699 0.451600 0.063885 O\n0.070301 0.548400 0.936115 O\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 2.106750624272028,
            "density_atomic": 0.0676830783721534,
            "volume": 118.19793355160706,
            "volume_molar": 8.897557417361305,
            "formula_full": "Al2 O6",
            "formula_reduced": "AlO3",
            "formula_anonymous": "AB3",
            "energy": -47.2830157,
            "energy_per_atom": -5.9103769625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.3170157,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0027517,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:28.439000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1245110",
            "created_at": "2022-09-04T14:40:55.520733Z",
            "structure_string": "Al36 O18\n1.0\n5.704650 0.015562 -0.055641\n2.866135 4.875769 0.027300\n-0.483745 0.546659 49.776383\nAl O\n36 18\ndirect\n0.456356 0.512882 0.999821 Al\n0.956689 0.513055 0.999727 Al\n0.457695 0.013401 0.999069 Al\n0.139051 0.165409 0.046722 Al\n0.133806 0.665583 0.047188 Al\n0.635227 0.669247 0.046629 Al\n0.635717 0.165875 0.046872 Al\n0.314576 0.321218 0.093093 Al\n0.314686 0.821177 0.092989 Al\n0.812442 0.821467 0.093421 Al\n0.814552 0.321792 0.092192 Al\n0.989384 0.477989 0.139746 Al\n0.493666 0.473814 0.139611 Al\n0.488684 0.975752 0.140144 Al\n0.989454 0.980494 0.139675 Al\n0.169270 0.133955 0.186750 Al\n0.665888 0.130867 0.186437 Al\n0.668672 0.634698 0.186734 Al\n0.169035 0.634300 0.184494 Al\n0.846773 0.286809 0.231701 Al\n0.340587 0.783637 0.231554 Al\n0.349931 0.297734 0.232688 Al\n0.852877 0.787637 0.231843 Al\n0.946004 0.378929 0.280072 Al\n0.474300 0.983569 0.292359 Al\n0.439114 0.463535 0.310438 Al\n0.991970 0.975137 0.328468 Al\n0.279286 0.726566 0.374083 Al\n0.810735 0.298918 0.386834 Al\n0.675847 0.840563 0.392744 Al\n0.250151 0.393023 0.419662 Al\n0.218833 0.955327 0.437815 Al\n0.163946 0.674911 0.480399 Al\n0.538087 0.122781 0.479043 Al\n0.896353 0.394233 0.485986 Al\n0.957003 0.013097 0.000139 Al\n0.242049 0.406316 0.286893 O\n0.528210 0.958618 0.256173 O\n0.645082 0.602981 0.299839 O\n0.137317 0.054249 0.301780 O\n0.657629 0.090845 0.316416 O\n0.236531 0.629804 0.338439 O\n0.022741 0.074244 0.362032 O\n0.642352 0.618404 0.367702 O\n0.042464 0.665873 0.393250 O\n0.551523 0.209259 0.394320 O\n0.416697 0.796057 0.407805 O\n0.991993 0.275374 0.417378 O\n0.183243 0.652946 0.443862 O\n0.435425 0.107295 0.445215 O\n0.077621 0.032453 0.473866 O\n0.796713 0.773434 0.486966 O\n0.572238 0.430379 0.484484 O\n0.219972 0.344415 0.496069 O\n",
            "nsites": 54,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 1.5131561570459229,
            "density_atomic": 0.03907425696216033,
            "volume": 1381.9840528840718,
            "volume_molar": 15.412041656561415,
            "formula_full": "Al36 O18",
            "formula_reduced": "Al2O",
            "formula_anonymous": "AB2",
            "energy": -316.78746061,
            "energy_per_atom": -5.86643445574074,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -304.42146061,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.28e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.535000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1245111",
            "created_at": "2022-09-04T14:44:30.165327Z",
            "structure_string": "Al40 O60\n1.0\n10.229021 0.215463 -0.198513\n0.216432 10.162629 -0.074251\n-0.201949 -0.075693 10.495667\nAl O\n40 60\ndirect\n0.960289 0.339583 0.626467 Al\n0.564512 0.536200 0.396952 Al\n0.211451 0.218713 0.208213 Al\n0.321970 0.552999 0.944407 Al\n0.475920 0.640498 0.656581 Al\n0.069382 0.490592 0.167527 Al\n0.185890 0.999468 0.898539 Al\n0.280928 0.673360 0.305907 Al\n0.964519 0.932994 0.772210 Al\n0.808503 0.715475 0.298876 Al\n0.087771 0.515344 0.820437 Al\n0.446137 0.946654 0.624724 Al\n0.096748 0.744878 0.050489 Al\n0.230735 0.489494 0.553769 Al\n0.786125 0.009585 0.216046 Al\n0.675895 0.268054 0.709378 Al\n0.285782 0.778340 0.808166 Al\n0.475676 0.991106 0.996345 Al\n0.441997 0.326251 0.518432 Al\n0.694737 0.238034 0.975267 Al\n0.445581 0.429264 0.176470 Al\n0.052477 0.897012 0.376017 Al\n0.195185 0.138545 0.500802 Al\n0.540130 0.809902 0.397250 Al\n0.870238 0.522995 0.985480 Al\n0.018585 0.636873 0.520098 Al\n0.763692 0.830690 0.572250 Al\n0.387095 0.164788 0.752736 Al\n0.986873 0.071305 0.027577 Al\n0.665954 0.234507 0.402278 Al\n0.910137 0.075367 0.503095 Al\n0.506445 0.171213 0.206589 Al\n0.142020 0.283853 0.914324 Al\n0.337387 0.948796 0.298754 Al\n0.667921 0.970521 0.816230 Al\n0.790818 0.558119 0.701902 Al\n0.971529 0.361470 0.369020 Al\n0.581010 0.539927 0.898226 Al\n0.770717 0.786884 0.001680 Al\n0.756453 0.424442 0.214075 Al\n0.042316 0.440413 0.004597 O\n0.557058 0.152468 0.034075 O\n0.411661 0.020828 0.163258 O\n0.712479 0.827250 0.406893 O\n0.831922 0.871518 0.857555 O\n0.090556 0.995294 0.510022 O\n0.626479 0.368986 0.863475 O\n0.109829 0.351132 0.268661 O\n0.193592 0.843806 0.297763 O\n0.628075 0.895308 0.657061 O\n0.256383 0.314128 0.521370 O\n0.262679 0.156588 0.867287 O\n0.630220 0.600099 0.738770 O\n0.014652 0.079345 0.860709 O\n0.753862 0.163584 0.541927 O\n0.087192 0.920044 0.040678 O\n0.352811 0.289130 0.158107 O\n0.183560 0.668765 0.915731 O\n0.915716 0.010833 0.335668 O\n0.502071 0.253901 0.667605 O\n0.315099 0.078776 0.620832 O\n0.055214 0.337676 0.766579 O\n0.397134 0.497486 0.594463 O\n0.799627 0.384103 0.669165 O\n0.184793 0.611714 0.436258 O\n0.620782 0.890321 0.964046 O\n0.183507 0.620788 0.160637 O\n0.011168 0.223734 0.504513 O\n0.962216 0.747703 0.390939 O\n0.115758 0.184120 0.063452 O\n0.129183 0.584298 0.667240 O\n0.830385 0.097425 0.078562 O\n0.443778 0.944046 0.451136 O\n0.406131 0.526897 0.311290 O\n0.606003 0.394252 0.482131 O\n0.988111 0.463858 0.506752 O\n0.938072 0.685389 0.044890 O\n0.918480 0.516005 0.245388 O\n0.711836 0.620133 0.984076 O\n0.133140 0.876606 0.777272 O\n0.691282 0.582695 0.293117 O\n0.795465 0.374890 0.052507 O\n0.884776 0.945134 0.618996 O\n0.480281 0.217237 0.385450 O\n0.245185 0.419761 0.880791 O\n0.489371 0.028020 0.800133 O\n0.230019 0.102469 0.331375 O\n0.782945 0.836308 0.171772 O\n0.815712 0.306363 0.331842 O\n0.597178 0.350421 0.211738 O\n0.422169 0.776491 0.275187 O\n0.853242 0.675407 0.597378 O\n0.462312 0.519474 0.037913 O\n0.727526 0.140033 0.824186 O\n0.331710 0.898028 0.934760 O\n0.543999 0.673595 0.501200 O\n0.375354 0.794653 0.665475 O\n0.913602 0.558515 0.824295 O\n0.657170 0.096970 0.281326 O\n0.415404 0.630066 0.831140 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.1062873974457066,
            "density_atomic": 0.09173335440965169,
            "volume": 1090.1160286086576,
            "volume_molar": 6.564832169013522,
            "formula_full": "Al40 O60",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -773.2860748100001,
            "energy_per_atom": -7.7328607481,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -732.06607481,
            "band_gap": 3.5496,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0085722,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.649000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-754624",
            "created_at": "2022-09-04T14:43:40.772990Z",
            "structure_string": "Al4 O6\n1.0\n4.731079 -2.424400 0.000000\n4.731079 2.424400 0.000000\n3.488715 0.000000 4.011195\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.693266 0.693266 0.693266 Al\n0.306734 0.306734 0.306734 Al\n0.720600 0.107473 0.396357 O\n0.603643 0.279400 0.892527 O\n0.892527 0.603643 0.279400 O\n0.107473 0.396357 0.720600 O\n0.396357 0.720600 0.107473 O\n0.279400 0.892527 0.603643 O\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.6799855538537334,
            "density_atomic": 0.10867552671129276,
            "volume": 92.01703734609896,
            "volume_molar": 5.541395512163848,
            "formula_full": "Al4 O6",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -78.28062417,
            "energy_per_atom": -7.828062417,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.15862417,
            "band_gap": 5.6671,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:15.724000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1245024",
            "created_at": "2022-09-04T14:43:08.613835Z",
            "structure_string": "Al40 O60\n1.0\n10.653492 0.063780 -0.134823\n0.070499 9.879198 0.324093\n-0.128859 0.312477 10.512053\nAl O\n40 60\ndirect\n0.313358 0.373890 0.230648 Al\n0.224389 0.007771 0.387391 Al\n0.539832 0.844451 0.714801 Al\n0.583791 0.699445 0.989365 Al\n0.217114 0.816126 0.630107 Al\n0.120746 0.317457 0.720299 Al\n0.918732 0.169434 0.804156 Al\n0.326560 0.857242 0.930909 Al\n0.280907 0.552349 0.759691 Al\n0.852441 0.683135 0.544941 Al\n0.711495 0.992080 0.435716 Al\n0.616877 0.276203 0.296301 Al\n0.946160 0.805909 0.344988 Al\n0.426437 0.756507 0.447927 Al\n0.294210 0.499536 0.510193 Al\n0.255334 0.130936 0.101008 Al\n0.715132 0.466088 0.100473 Al\n0.622998 0.297921 0.700169 Al\n0.729571 0.020431 0.717380 Al\n0.472596 0.212801 0.480293 Al\n0.910119 0.217953 0.335773 Al\n0.966880 0.118162 0.036792 Al\n0.694544 0.953712 0.996408 Al\n0.446616 0.932368 0.156339 Al\n0.128528 0.308383 0.434694 Al\n0.858991 0.485350 0.322314 Al\n0.987683 0.028338 0.555490 Al\n0.420354 0.436839 0.012637 Al\n0.554749 0.536095 0.566037 Al\n0.662733 0.716664 0.325413 Al\n0.218491 0.619943 0.024580 Al\n0.732071 0.587663 0.798845 Al\n0.016185 0.621152 0.820924 Al\n0.877064 0.677917 0.055849 Al\n0.302323 0.077351 0.656285 Al\n0.017967 0.374499 0.078869 Al\n0.393093 0.296125 0.774443 Al\n0.103387 0.871935 0.158784 Al\n0.551257 0.199593 0.027743 Al\n0.998195 0.893054 0.819772 Al\n0.817147 0.064621 0.978773 O\n0.339322 0.019316 0.000883 O\n0.890904 0.979905 0.705751 O\n0.500592 0.726844 0.600942 O\n0.329083 0.418456 0.877903 O\n0.320300 0.129936 0.484674 O\n0.251421 0.200441 0.766185 O\n0.652154 0.473787 0.711059 O\n0.934281 0.222765 0.168255 O\n0.609131 0.708068 0.822240 O\n0.468100 0.174014 0.662203 O\n0.981695 0.369651 0.385490 O\n0.149394 0.987403 0.618467 O\n0.580671 0.347335 0.531385 O\n0.580881 0.031870 0.094905 O\n0.765307 0.860445 0.335720 O\n0.652112 0.941040 0.592988 O\n0.705179 0.575666 0.238573 O\n0.102711 0.772939 0.757069 O\n0.188252 0.369745 0.575085 O\n0.785393 0.546677 0.957060 O\n0.361784 0.905892 0.744625 O\n0.305720 0.673956 0.882202 O\n0.976863 0.282255 0.932826 O\n0.103281 0.881584 0.326506 O\n0.243011 0.641339 0.604604 O\n0.301113 0.863997 0.478533 O\n0.085069 0.133685 0.409070 O\n0.069920 0.546765 0.997922 O\n0.113970 0.487923 0.769081 O\n0.404473 0.263904 0.082619 O\n0.399799 0.454259 0.660907 O\n0.429831 0.577324 0.434501 O\n0.179590 0.295885 0.143284 O\n0.719656 0.781297 0.054038 O\n0.206234 0.791924 0.058704 O\n0.559901 0.526847 0.029160 O\n0.918346 0.628879 0.400131 O\n0.104760 0.043594 0.111976 O\n0.324925 0.521056 0.121806 O\n0.461708 0.803618 0.035841 O\n0.853820 0.086297 0.447470 O\n0.932133 0.755488 0.909726 O\n0.542163 0.271747 0.867165 O\n0.958220 0.780063 0.169869 O\n0.512225 0.813231 0.304377 O\n0.453956 0.314685 0.320209 O\n0.594809 0.116749 0.388611 O\n0.898568 0.491822 0.152146 O\n0.692477 0.637333 0.488288 O\n0.232524 0.430030 0.360559 O\n0.872054 0.621327 0.708365 O\n0.766603 0.331181 0.337373 O\n0.942067 0.839631 0.516556 O\n0.651004 0.297928 0.125865 O\n0.030886 0.044232 0.886187 O\n0.998233 0.219384 0.664002 O\n0.756126 0.193982 0.734896 O\n0.322909 0.023633 0.241677 O\n0.626584 0.957493 0.834651 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.064256339623967,
            "density_atomic": 0.09049211384493618,
            "volume": 1105.0686711922342,
            "volume_molar": 6.654879087385791,
            "formula_full": "Al40 O60",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -768.0864143800001,
            "energy_per_atom": -7.680864143800001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -726.86641438,
            "band_gap": 3.9081,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0022486,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.719000Z",
            "spacegroup": 1
        }
    ]
}