GET /third-parties/MatprojStructure/?format=api&ordering=volume&page=11464
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=volume&page=11465",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=11463",
    "results": [
        {
            "id": "mp-1195475",
            "created_at": "2022-09-04T14:41:34.520959Z",
            "structure_string": "K18 Sm6 Si12 O42\n1.0\n5.039377 -8.728456 0.000000\n5.039377 8.728456 0.000000\n0.000000 0.000000 14.640073\nK Sm Si O\n18 6 12 42\ndirect\n0.669125 0.669125 0.909383 K\n0.330875 0.000000 0.909383 K\n0.000000 0.330875 0.909383 K\n0.330875 0.330875 0.090617 K\n0.669125 0.000000 0.090617 K\n0.000000 0.669125 0.090617 K\n0.330875 0.330875 0.409383 K\n0.669125 0.000000 0.409383 K\n0.000000 0.669125 0.409383 K\n0.669125 0.669125 0.590617 K\n0.330875 0.000000 0.590617 K\n0.000000 0.330875 0.590617 K\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.750000 K\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.250000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.750000 Sm\n0.000000 0.000000 0.250000 Sm\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.000000 Sm\n0.333333 0.666667 0.500000 Sm\n0.666667 0.333333 0.500000 Sm\n0.340497 0.340497 0.856735 Si\n0.659503 0.000000 0.856735 Si\n0.000000 0.659503 0.856735 Si\n0.659503 0.659503 0.143265 Si\n0.340497 0.000000 0.143265 Si\n0.000000 0.340497 0.143265 Si\n0.659503 0.659503 0.356735 Si\n0.340497 0.000000 0.356735 Si\n0.000000 0.340497 0.356735 Si\n0.340497 0.340497 0.643265 Si\n0.659503 0.000000 0.643265 Si\n0.000000 0.659503 0.643265 Si\n0.321739 0.846017 0.093544 O\n0.153983 0.475722 0.093544 O\n0.524278 0.678261 0.093544 O\n0.846017 0.321739 0.093544 O\n0.475722 0.153983 0.093544 O\n0.678261 0.524278 0.093544 O\n0.678261 0.153983 0.906456 O\n0.846017 0.524278 0.906456 O\n0.475722 0.321739 0.906456 O\n0.153983 0.678261 0.906456 O\n0.524278 0.846017 0.906456 O\n0.321739 0.475722 0.906456 O\n0.678261 0.153983 0.593544 O\n0.846017 0.524278 0.593544 O\n0.475722 0.321739 0.593544 O\n0.153983 0.678261 0.593544 O\n0.524278 0.846017 0.593544 O\n0.321739 0.475722 0.593544 O\n0.321739 0.846017 0.406456 O\n0.153983 0.475722 0.406456 O\n0.524278 0.678261 0.406456 O\n0.846017 0.321739 0.406456 O\n0.475722 0.153983 0.406456 O\n0.678261 0.524278 0.406456 O\n0.178004 0.178004 0.854449 O\n0.821996 0.000000 0.854449 O\n0.000000 0.821996 0.854449 O\n0.821996 0.821996 0.145551 O\n0.178004 0.000000 0.145551 O\n0.000000 0.178004 0.145551 O\n0.821996 0.821996 0.354449 O\n0.178004 0.000000 0.354449 O\n0.000000 0.178004 0.354449 O\n0.178004 0.178004 0.645551 O\n0.821996 0.000000 0.645551 O\n0.000000 0.821996 0.645551 O\n0.403344 0.403344 0.750000 O\n0.596656 0.000000 0.750000 O\n0.000000 0.596656 0.750000 O\n0.596656 0.596656 0.250000 O\n0.403344 0.000000 0.250000 O\n0.000000 0.403344 0.250000 O\n",
            "nsites": 78,
            "nelements": 4,
            "elements": [
                "K",
                "Sm",
                "Si",
                "O"
            ],
            "chemical_system": "K-O-Si-Sm",
            "density": 3.3714885092535427,
            "density_atomic": 0.06056295933544164,
            "volume": 1287.9159284139232,
            "volume_molar": 9.943603856352215,
            "formula_full": "K18 Sm6 Si12 O42",
            "formula_reduced": "K3SmSi2O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -559.27062943,
            "energy_per_atom": -7.17013627474359,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -530.41662943,
            "band_gap": 3.6153,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0038032,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:21.313000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1203373",
            "created_at": "2022-09-04T14:45:54.254339Z",
            "structure_string": "Ge44 Rh34\n1.0\n5.683868 -0.000000 -0.000000\n-0.000000 5.683868 -0.000000\n-2.841934 -2.841934 39.868114\nGe Rh\n44 34\ndirect\n0.058587 0.417801 0.525387 Ge\n0.191413 0.642414 0.974613 Ge\n0.466801 0.107586 0.525387 Ge\n0.783199 0.332199 0.974613 Ge\n0.582199 0.533199 0.474613 Ge\n0.667801 0.808587 0.025387 Ge\n0.892414 0.941413 0.474613 Ge\n0.357586 0.216801 0.025387 Ge\n0.072129 0.934753 0.564243 Ge\n0.177871 0.120510 0.935757 Ge\n0.492115 0.629490 0.564243 Ge\n0.757885 0.815247 0.935757 Ge\n0.065247 0.507885 0.435757 Ge\n0.184753 0.822129 0.064243 Ge\n0.370510 0.927871 0.435757 Ge\n0.879490 0.242115 0.064243 Ge\n0.968830 0.501896 0.615244 Ge\n0.281170 0.636652 0.884756 Ge\n0.646414 0.113348 0.615244 Ge\n0.603586 0.248104 0.884756 Ge\n0.498104 0.353586 0.384756 Ge\n0.751896 0.718830 0.115244 Ge\n0.886652 0.031170 0.384756 Ge\n0.363348 0.396414 0.115244 Ge\n0.179985 0.100628 0.656307 Ge\n0.070015 0.194321 0.843693 Ge\n0.476322 0.555679 0.656307 Ge\n0.773678 0.649372 0.843693 Ge\n0.899372 0.523678 0.343693 Ge\n0.350628 0.929985 0.156307 Ge\n0.444321 0.820015 0.343693 Ge\n0.805679 0.226322 0.156307 Ge\n0.035076 0.681034 0.705114 Ge\n0.214924 0.725920 0.794886 Ge\n0.670038 0.024080 0.705114 Ge\n0.579962 0.068966 0.794886 Ge\n0.318966 0.329962 0.294886 Ge\n0.931034 0.785076 0.205114 Ge\n0.975920 0.964924 0.294886 Ge\n0.274080 0.420038 0.205114 Ge\n0.125000 0.228357 0.750000 Ge\n0.625000 0.521643 0.750000 Ge\n0.771643 0.375000 0.250000 Ge\n0.478357 0.875000 0.250000 Ge\n0.307266 0.807266 0.614531 Rh\n0.942734 0.942734 0.885469 Rh\n0.192734 0.692734 0.385469 Rh\n0.057266 0.057266 0.114531 Rh\n0.369932 0.869932 0.739864 Rh\n0.880068 0.880068 0.760136 Rh\n0.130068 0.630068 0.260136 Rh\n0.119932 0.119932 0.239864 Rh\n0.424008 0.924008 0.848016 Rh\n0.825992 0.825992 0.651984 Rh\n0.075992 0.575992 0.151984 Rh\n0.174008 0.174008 0.348016 Rh\n0.487330 0.987330 0.974659 Rh\n0.762670 0.762670 0.525341 Rh\n0.012670 0.512670 0.025341 Rh\n0.237330 0.237330 0.474659 Rh\n0.543306 0.043306 0.086612 Rh\n0.706694 0.706694 0.413388 Rh\n0.956694 0.456694 0.913388 Rh\n0.293306 0.293306 0.586612 Rh\n0.602386 0.102386 0.204772 Rh\n0.647614 0.647614 0.295228 Rh\n0.897614 0.397614 0.795228 Rh\n0.352386 0.352386 0.704772 Rh\n0.663439 0.163439 0.326878 Rh\n0.586561 0.586561 0.173122 Rh\n0.836561 0.336561 0.673122 Rh\n0.413439 0.413439 0.826878 Rh\n0.718297 0.218297 0.436595 Rh\n0.531703 0.531703 0.063405 Rh\n0.781703 0.281703 0.563405 Rh\n0.468297 0.468297 0.936595 Rh\n0.250000 0.750000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
            "nsites": 78,
            "nelements": 2,
            "elements": [
                "Ge",
                "Rh"
            ],
            "chemical_system": "Ge-Rh",
            "density": 8.631426612958558,
            "density_atomic": 0.060559313631357255,
            "volume": 1287.9934616632124,
            "volume_molar": 9.94420246678914,
            "formula_full": "Ge44 Rh34",
            "formula_reduced": "Ge22Rh17",
            "formula_anonymous": "A17B22",
            "energy": -491.11143655,
            "energy_per_atom": -6.2963004685897435,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -491.11143655,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003024,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:06.680000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-1173281",
            "created_at": "2022-09-04T14:40:29.253612Z",
            "structure_string": "Sr20 Fe10 Mo10 O60\n1.0\n4.907838 -0.007592 -2.829826\n-1.637817 4.634044 -2.830619\n0.001015 -0.008113 56.671270\nSr Fe Mo O\n20 10 10 60\ndirect\n0.251189 0.750347 0.950360 Sr\n0.241494 0.741272 0.848273 Sr\n0.756939 0.254373 0.951374 Sr\n0.249104 0.749006 0.749738 Sr\n0.742318 0.243838 0.848667 Sr\n0.250105 0.750002 0.650001 Sr\n0.748144 0.247875 0.749537 Sr\n0.250546 0.750543 0.550099 Sr\n0.749680 0.249595 0.649954 Sr\n0.251514 0.751482 0.450284 Sr\n0.750086 0.250048 0.550038 Sr\n0.253614 0.753716 0.350716 Sr\n0.751064 0.251032 0.450228 Sr\n0.259806 0.760164 0.252028 Sr\n0.753322 0.253341 0.350677 Sr\n0.246796 0.747439 0.149593 Sr\n0.758296 0.258322 0.251696 Sr\n0.244438 0.744757 0.048907 Sr\n0.746667 0.248811 0.149720 Sr\n0.745638 0.244144 0.048942 Sr\n0.005330 0.004912 0.901160 Fe\n0.998183 0.998359 0.799558 Fe\n-0.000173 0.999763 0.699921 Fe\n0.000006 -0.000023 0.600006 Fe\n0.000544 0.000519 0.500108 Fe\n0.001777 0.001777 0.400355 Fe\n0.001939 0.001988 0.300399 Fe\n0.995303 0.995881 0.199211 Fe\n0.505017 0.505604 0.101239 Fe\n0.493961 0.492874 0.998773 Fe\n0.494123 0.493474 0.898820 Mo\n0.499112 0.499220 0.799679 Mo\n0.499230 0.499138 0.699818 Mo\n0.499869 0.499823 0.599978 Mo\n0.500455 0.500453 0.500094 Mo\n0.502205 0.502200 0.400438 Mo\n0.502353 0.502419 0.300477 Mo\n0.993162 0.993961 0.098784 Mo\n0.503476 0.503795 0.200833 Mo\n0.004662 0.003882 0.000879 Mo\n0.245809 0.245549 0.949547 O\n0.207854 0.709563 0.898957 O\n0.296095 0.227381 0.900367 O\n0.249714 0.249102 0.849660 O\n0.757116 0.755250 0.951074 O\n0.705268 0.774171 0.899918 O\n0.209811 0.710479 0.799335 O\n0.781605 0.279081 0.898901 O\n0.284492 0.211530 0.799570 O\n0.257199 0.257792 0.751281 O\n0.745070 0.743783 0.848570 O\n0.713268 0.787134 0.799751 O\n0.211678 0.713570 0.699917 O\n0.784083 0.283289 0.799152 O\n0.285190 0.210928 0.699820 O\n0.257236 0.257514 0.651442 O\n0.741836 0.741292 0.748286 O\n0.713906 0.787985 0.699919 O\n0.211887 0.713863 0.600011 O\n0.787169 0.285175 0.699825 O\n0.285888 0.211272 0.599968 O\n0.257772 0.258025 0.551571 O\n0.742386 0.742135 0.648465 O\n0.713841 0.788375 0.599979 O\n0.212385 0.714254 0.500100 O\n0.787798 0.285773 0.599938 O\n0.286420 0.211771 0.500053 O\n0.257961 0.258288 0.451627 O\n0.742784 0.742512 0.548548 O\n0.714109 0.788731 0.500060 O\n0.213770 0.715806 0.400295 O\n0.788188 0.286320 0.500021 O\n0.286967 0.213215 0.400264 O\n0.258783 0.259085 0.351779 O\n0.743086 0.742819 0.448612 O\n0.715581 0.789324 0.400248 O\n0.214669 0.715419 0.300668 O\n0.788789 0.286758 0.400216 O\n0.292256 0.214765 0.300788 O\n0.256842 0.257188 0.251421 O\n0.744228 0.743859 0.348812 O\n0.715471 0.793088 0.300783 O\n0.218502 0.702616 0.200398 O\n0.791523 0.290811 0.300581 O\n0.297812 0.206802 0.200431 O\n0.248379 0.248205 0.149786 O\n0.751640 0.751062 0.250317 O\n0.705748 0.796652 0.200463 O\n0.210442 0.709255 0.099229 O\n0.784572 0.300461 0.200332 O\n0.272568 0.201505 0.098972 O\n0.246561 0.252173 0.049373 O\n0.749136 0.748407 0.150076 O\n0.721820 0.793132 0.099878 O\n0.211589 0.715632 0.000145 O\n0.779256 0.282031 0.099072 O\n0.288121 0.213751 0.000383 O\n0.750041 0.752072 0.049529 O\n0.713889 0.785355 0.999655 O\n0.790850 0.286738 0.000488 O\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "Sr",
                "Fe",
                "Mo",
                "O"
            ],
            "chemical_system": "Fe-Mo-O-Sr",
            "density": 5.453581490445331,
            "density_atomic": 0.07763729067357339,
            "volume": 1288.0408259022176,
            "volume_molar": 7.75676315820981,
            "formula_full": "Sr20 Fe10 Mo10 O60",
            "formula_reduced": "Sr2FeMoO6",
            "formula_anonymous": "ABC2D6",
            "energy": -776.89342202,
            "energy_per_atom": -7.7689342202,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -681.09342202,
            "band_gap": 0.4168000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 60.0021976,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.420000Z",
            "spacegroup": 3
        },
        {
            "id": "mp-1249969",
            "created_at": "2022-09-04T14:44:22.801183Z",
            "structure_string": "Si20 O40\n1.0\n12.559868 -0.002938 -3.714310\n-2.944311 10.879003 -0.655269\n-0.006348 -0.000552 9.429604\nSi O\n20 40\ndirect\n0.265285 0.495915 0.229280 Si\n0.732532 0.489495 0.771936 Si\n0.259411 0.543156 0.910726 Si\n0.738395 0.442253 0.090480 Si\n0.315778 0.377210 0.686481 Si\n0.682027 0.608194 0.314725 Si\n0.123449 0.417818 0.427384 Si\n0.874388 0.567600 0.573819 Si\n0.407851 0.140982 0.735679 Si\n0.589967 0.844431 0.265498 Si\n0.325510 0.863318 0.660505 Si\n0.672318 0.122122 0.340682 Si\n0.123660 0.645386 0.637843 Si\n0.874175 0.340049 0.363364 Si\n0.474369 0.384198 0.299514 Si\n0.523434 0.601222 0.701684 Si\n0.463202 0.758706 0.931419 Si\n0.534588 0.226699 0.069769 Si\n0.421196 0.737884 0.436482 Si\n0.576606 0.247540 0.564691 Si\n0.219484 0.500198 0.051127 O\n0.778327 0.485196 0.950079 O\n0.357223 0.417718 0.269690 O\n0.640580 0.567682 0.731535 O\n0.319839 0.633883 0.319914 O\n0.677957 0.351545 0.681262 O\n0.157407 0.429657 0.275280 O\n0.840393 0.555763 0.725904 O\n0.370087 0.656442 0.973536 O\n0.627716 0.328967 0.027671 O\n0.163705 0.589378 0.793826 O\n0.834132 0.396090 0.207400 O\n0.287137 0.427475 0.832089 O\n0.710648 0.557915 0.169109 O\n0.340444 0.244853 0.705573 O\n0.657373 0.740561 0.295632 O\n0.422326 0.476654 0.667887 O\n0.575473 0.508754 0.333302 O\n0.209005 0.356952 0.540340 O\n0.788801 0.628426 0.460852 O\n0.129625 0.554405 0.501638 O\n0.868211 0.431007 0.499595 O\n0.999322 0.329232 0.388942 O\n0.998511 0.656207 0.612270 O\n0.323886 0.006739 0.663641 O\n0.673926 0.978687 0.337549 O\n0.506012 0.165702 0.657998 O\n0.491808 0.819700 0.343187 O\n0.455722 0.141856 0.915571 O\n0.542072 0.843540 0.085617 O\n0.408036 0.845372 0.818479 O\n0.589781 0.140044 0.182708 O\n0.201068 0.781223 0.640506 O\n0.796759 0.204213 0.360685 O\n0.369077 0.824788 0.523597 O\n0.628751 0.160664 0.477587 O\n0.466558 0.297562 0.150325 O\n0.531234 0.687825 0.850888 O\n0.495818 0.310745 0.444578 O\n0.501983 0.674687 0.556627 O\n",
            "nsites": 60,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.5491376686173741,
            "density_atomic": 0.04658018034789124,
            "volume": 1288.1014962132128,
            "volume_molar": 12.928547538937623,
            "formula_full": "Si20 O40",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -501.34752435,
            "energy_per_atom": -8.3557920725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -473.86752435,
            "band_gap": 5.6645,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000153,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.708000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1200214",
            "created_at": "2022-09-04T14:42:56.285013Z",
            "structure_string": "Nd4 B36 O72\n1.0\n0.005596 0.000000 7.885461\n9.954801 0.000000 -0.013571\n0.000000 16.409720 0.000000\nNd B O\n4 36 72\ndirect\n0.267265 0.638362 0.289084 Nd\n0.767265 0.138362 0.210916 Nd\n0.732735 0.361638 0.710916 Nd\n0.232735 0.861638 0.789084 Nd\n0.876770 0.530669 0.401546 B\n0.376770 0.030669 0.098454 B\n0.123230 0.469331 0.598454 B\n0.623230 0.969331 0.901546 B\n0.356571 0.776634 0.094593 B\n0.856571 0.276634 0.405407 B\n0.643429 0.223366 0.905407 B\n0.143429 0.723366 0.594593 B\n0.333607 0.896954 0.965069 B\n0.833607 0.396954 0.534931 B\n0.666393 0.103046 0.034931 B\n0.166393 0.603046 0.465069 B\n0.671368 0.636810 0.292091 B\n0.171368 0.136810 0.207909 B\n0.328632 0.363190 0.707909 B\n0.828632 0.863190 0.792091 B\n0.110287 0.375530 0.234582 B\n0.610287 0.875530 0.265418 B\n0.889713 0.624470 0.765418 B\n0.389713 0.124470 0.734582 B\n0.112334 0.907638 0.254193 B\n0.612334 0.407638 0.245807 B\n0.887666 0.092362 0.745807 B\n0.387666 0.592362 0.754193 B\n0.864942 0.515266 0.178441 B\n0.364942 0.015266 0.321559 B\n0.135058 0.484734 0.821559 B\n0.635058 0.984734 0.678441 B\n0.903647 0.665884 0.062136 B\n0.403647 0.165884 0.437864 B\n0.096353 0.334116 0.937864 B\n0.596353 0.834116 0.562136 B\n0.870675 0.776301 0.194876 B\n0.370675 0.276301 0.305124 B\n0.129325 0.223699 0.805124 B\n0.629325 0.723699 0.694876 B\n0.830389 0.522941 0.488859 O\n0.330389 0.022941 0.011141 O\n0.169611 0.477059 0.511141 O\n0.669611 0.977059 0.988859 O\n0.341642 0.661220 0.141603 O\n0.841642 0.161220 0.358397 O\n0.658358 0.338780 0.858397 O\n0.158358 0.838780 0.641603 O\n0.771580 0.632577 0.364425 O\n0.271580 0.132577 0.135575 O\n0.228420 0.367423 0.635575 O\n0.728420 0.867423 0.864425 O\n0.251486 0.901578 0.304802 O\n0.751486 0.401578 0.195198 O\n0.748514 0.098422 0.695198 O\n0.248514 0.598422 0.804802 O\n0.555467 0.752711 0.291576 O\n0.055467 0.252711 0.208424 O\n0.444533 0.247289 0.708424 O\n0.944533 0.747289 0.791576 O\n0.257475 0.387639 0.279754 O\n0.757475 0.887639 0.220246 O\n0.742525 0.612361 0.720246 O\n0.242525 0.112361 0.779754 O\n0.555866 0.523082 0.281582 O\n0.055866 0.023082 0.218418 O\n0.444134 0.476918 0.718418 O\n0.944134 0.976918 0.781582 O\n0.032383 0.495372 0.217800 O\n0.532383 0.995372 0.282200 O\n0.967617 0.504628 0.782200 O\n0.467617 0.004628 0.717800 O\n0.855725 0.396247 0.363321 O\n0.355725 0.896247 0.136679 O\n0.144275 0.603753 0.636679 O\n0.644275 0.103753 0.863321 O\n0.375499 0.774639 0.010779 O\n0.875499 0.274639 0.489221 O\n0.624501 0.225361 0.989221 O\n0.124501 0.725361 0.510779 O\n0.788359 0.643701 0.217642 O\n0.288359 0.143701 0.282358 O\n0.211641 0.356299 0.782358 O\n0.711641 0.856299 0.717642 O\n0.054768 0.577954 0.394129 O\n0.554768 0.077954 0.105871 O\n0.945232 0.422046 0.605871 O\n0.445232 0.922046 0.894129 O\n0.335280 0.633144 0.433449 O\n0.835280 0.133144 0.066551 O\n0.664720 0.366856 0.566551 O\n0.164720 0.866856 0.933449 O\n0.879077 0.538791 0.092415 O\n0.379077 0.038791 0.407585 O\n0.120923 0.461209 0.907585 O\n0.620923 0.961209 0.592415 O\n0.905161 0.779069 0.108858 O\n0.405161 0.279069 0.391142 O\n0.094839 0.220931 0.891142 O\n0.594839 0.720931 0.608858 O\n0.030609 0.787148 0.243315 O\n0.530609 0.287148 0.256685 O\n0.969391 0.212852 0.756685 O\n0.469391 0.712852 0.743315 O\n0.928437 0.675223 0.978065 O\n0.428437 0.175223 0.521935 O\n0.071563 0.324777 0.021935 O\n0.571563 0.824777 0.478065 O\n0.375004 0.488873 0.077068 O\n0.875004 0.988873 0.422932 O\n0.624996 0.511127 0.922932 O\n0.124996 0.011127 0.577068 O\n",
            "nsites": 112,
            "nelements": 3,
            "elements": [
                "Nd",
                "B",
                "O"
            ],
            "chemical_system": "B-Nd-O",
            "density": 2.7304772394133248,
            "density_atomic": 0.08694743225888915,
            "volume": 1288.134647455901,
            "volume_molar": 6.926185861439652,
            "formula_full": "Nd4 B36 O72",
            "formula_reduced": "Nd(BO2)9",
            "formula_anonymous": "AB9C18",
            "energy": -890.0895238700001,
            "energy_per_atom": -7.947227891696429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -840.62552387,
            "band_gap": 0.0251,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9933942,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.865000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-540953",
            "created_at": "2022-09-04T14:47:13.601338Z",
            "structure_string": "La2 H36 C6 S6 O36 F18\n1.0\n7.073906 -12.252365 0.000000\n7.073906 12.252365 0.000000\n0.000000 0.000000 7.431419\nLa H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.250000 La\n0.666667 0.333333 0.750000 La\n0.354173 0.450865 0.143222 H\n0.903308 0.354173 0.643222 H\n0.450865 0.096692 0.643222 H\n0.549135 0.903308 0.143222 H\n0.096692 0.645827 0.143222 H\n0.645827 0.549135 0.643222 H\n0.645827 0.549135 0.856778 H\n0.096692 0.645827 0.356778 H\n0.549135 0.903308 0.356778 H\n0.450865 0.096692 0.856778 H\n0.903308 0.354173 0.856778 H\n0.354173 0.450865 0.356778 H\n0.126890 0.491320 0.464388 H\n0.635569 0.126890 0.964388 H\n0.491320 0.364431 0.964388 H\n0.508680 0.635569 0.464388 H\n0.364431 0.873110 0.464388 H\n0.873110 0.508680 0.964388 H\n0.873110 0.508680 0.535612 H\n0.364431 0.873110 0.035612 H\n0.508680 0.635569 0.035612 H\n0.491320 0.364431 0.535612 H\n0.635569 0.126890 0.535612 H\n0.126890 0.491320 0.035612 H\n0.226415 0.504104 0.578989 H\n0.722311 0.226415 0.078989 H\n0.504104 0.277689 0.078989 H\n0.495896 0.722311 0.578989 H\n0.277689 0.773585 0.578989 H\n0.773585 0.495896 0.078989 H\n0.773585 0.495896 0.421011 H\n0.277689 0.773585 0.921011 H\n0.495896 0.722311 0.921011 H\n0.504104 0.277689 0.421011 H\n0.722311 0.226415 0.421011 H\n0.226415 0.504104 0.921011 H\n0.221795 0.230221 0.750000 C\n0.991574 0.221795 0.250000 C\n0.230221 0.008426 0.250000 C\n0.769779 0.991574 0.750000 C\n0.008426 0.778205 0.750000 C\n0.778205 0.769779 0.250000 C\n0.319895 0.380630 0.750000 S\n0.939265 0.319895 0.250000 S\n0.380630 0.060735 0.250000 S\n0.619370 0.939265 0.750000 S\n0.060735 0.680105 0.750000 S\n0.680105 0.619370 0.250000 S\n0.347317 0.487777 0.250000 O\n0.859540 0.347317 0.750000 O\n0.487777 0.140460 0.750000 O\n0.512223 0.859540 0.250000 O\n0.140460 0.652683 0.250000 O\n0.652683 0.512223 0.750000 O\n0.204187 0.542105 0.492267 O\n0.662082 0.204187 0.992267 O\n0.542105 0.337918 0.992267 O\n0.457895 0.662082 0.492267 O\n0.337918 0.795813 0.492267 O\n0.795813 0.457895 0.992267 O\n0.795813 0.457895 0.507733 O\n0.337918 0.795813 0.007733 O\n0.457895 0.662082 0.007733 O\n0.542105 0.337918 0.507733 O\n0.662082 0.204187 0.507733 O\n0.204187 0.542105 0.007733 O\n0.249452 0.429274 0.750000 O\n0.820177 0.249452 0.250000 O\n0.429274 0.179823 0.250000 O\n0.570726 0.820177 0.750000 O\n0.179823 0.750548 0.750000 O\n0.750548 0.570726 0.250000 O\n0.382363 0.399455 0.583633 O\n0.982908 0.382363 0.083633 O\n0.399455 0.017092 0.083633 O\n0.600545 0.982908 0.583633 O\n0.017092 0.617637 0.583633 O\n0.617637 0.600545 0.083633 O\n0.617637 0.600545 0.416367 O\n0.017092 0.617637 0.916367 O\n0.600545 0.982908 0.916367 O\n0.399455 0.017092 0.416367 O\n0.982908 0.382363 0.416367 O\n0.382363 0.399455 0.916367 O\n0.278123 0.176045 0.750000 F\n0.102078 0.278123 0.250000 F\n0.176045 0.897922 0.250000 F\n0.823955 0.102078 0.750000 F\n0.897922 0.721877 0.750000 F\n0.721877 0.823955 0.250000 F\n0.157823 0.201477 0.602168 F\n0.956346 0.157823 0.102168 F\n0.201477 0.043654 0.102168 F\n0.798523 0.956346 0.602168 F\n0.043654 0.842177 0.602168 F\n0.842177 0.798523 0.102168 F\n0.842177 0.798523 0.397832 F\n0.043654 0.842177 0.897832 F\n0.798523 0.956346 0.897832 F\n0.201477 0.043654 0.397832 F\n0.956346 0.157823 0.397832 F\n0.157823 0.201477 0.897832 F\n",
            "nsites": 104,
            "nelements": 6,
            "elements": [
                "La",
                "H",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-La-O-S",
            "density": 1.9290569492812009,
            "density_atomic": 0.08073324048484098,
            "volume": 1288.1930587132538,
            "volume_molar": 7.459307620794383,
            "formula_full": "La2 H36 C6 S6 O36 F18",
            "formula_reduced": "LaH18C3S3(O2F)9",
            "formula_anonymous": "AB3C3D9E18F18",
            "energy": -597.97181015,
            "energy_per_atom": -5.74972894375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -564.92381015,
            "band_gap": 5.3933,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0264095,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:01.482000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1205040",
            "created_at": "2022-09-04T14:39:38.759259Z",
            "structure_string": "Zn2 H44 C10 N36 O34\n1.0\n9.401705 0.000000 0.000000\n-2.787458 11.426026 0.000000\n-2.636387 -3.303682 11.992083\nZn H C N O\n2 44 10 36 34\ndirect\n0.441886 0.216107 0.189495 Zn\n0.558114 0.783893 0.810505 Zn\n0.554552 0.443441 0.330388 H\n0.445448 0.556559 0.669612 H\n0.392490 0.435937 0.241595 H\n0.607510 0.564063 0.758405 H\n0.585949 0.556699 0.186288 H\n0.414051 0.443301 0.813712 H\n0.723805 0.401388 0.978878 H\n0.276195 0.598612 0.021122 H\n0.848063 0.607933 0.123263 H\n0.151937 0.392067 0.876737 H\n0.755305 0.607687 0.996829 H\n0.244695 0.392313 0.003171 H\n0.623490 0.199454 0.385622 H\n0.376510 0.800546 0.614378 H\n0.734748 0.263056 0.317019 H\n0.265252 0.736944 0.682981 H\n0.755052 0.063346 0.300622 H\n0.244948 0.936654 0.699378 H\n0.494695 0.843552 0.052987 H\n0.505305 0.156448 0.947013 H\n0.792431 0.928107 0.173548 H\n0.207569 0.071893 0.826452 H\n0.692118 0.787019 0.115997 H\n0.307882 0.212981 0.884003 H\n0.279690 0.228883 0.350520 H\n0.720310 0.771117 0.649480 H\n0.280421 0.086486 0.299706 H\n0.719579 0.913514 0.700294 H\n0.030386 0.105906 0.228971 H\n0.969614 0.894094 0.771029 H\n0.969024 0.162347 0.962508 H\n0.030976 0.837653 0.037492 H\n0.811366 0.187315 0.087997 H\n0.188634 0.812685 0.912003 H\n0.765157 0.042947 0.017777 H\n0.234843 0.957053 0.982223 H\n0.115416 0.244266 0.605089 H\n0.884584 0.755734 0.394911 H\n0.254347 0.195082 0.592731 H\n0.745653 0.804918 0.407269 H\n0.012946 0.095743 0.431031 H\n0.987054 0.904257 0.568969 H\n0.912027 0.962051 0.374828 H\n0.087973 0.037949 0.625172 H\n0.610350 0.396300 0.099288 C\n0.389650 0.603700 0.900712 C\n0.550112 0.006870 0.170008 C\n0.449888 0.993130 0.829992 C\n0.117738 0.161411 0.103823 C\n0.882262 0.838589 0.896177 C\n0.116830 0.518473 0.372650 C\n0.883170 0.481527 0.627350 C\n0.313583 0.794824 0.287358 C\n0.686417 0.205176 0.712642 C\n0.575498 0.467590 0.182734 N\n0.424502 0.532410 0.817266 N\n0.688171 0.452903 0.037308 N\n0.311829 0.547097 0.962692 N\n0.657564 0.082229 0.263049 N\n0.342436 0.917771 0.736951 N\n0.569877 0.900637 0.125445 N\n0.430123 0.099363 0.874555 N\n0.125998 0.142107 0.206387 N\n0.874002 0.857893 0.793613 N\n0.977648 0.138097 0.035909 N\n0.022352 0.861903 0.964091 N\n0.491884 0.412482 0.248054 N\n0.508116 0.587518 0.751946 N\n0.743092 0.580809 0.066923 N\n0.256908 0.419191 0.933077 N\n0.637552 0.195278 0.307201 N\n0.362448 0.804722 0.692799 N\n0.696419 0.863941 0.173085 N\n0.303581 0.136059 0.826915 N\n0.269626 0.164697 0.279252 N\n0.730374 0.835303 0.720748 N\n0.849217 0.111914 0.077044 N\n0.150783 0.888086 0.922956 N\n0.060981 0.440083 0.259832 N\n0.939019 0.559917 0.740168 N\n0.238621 0.500920 0.444037 N\n0.761379 0.499080 0.555963 N\n0.034920 0.598221 0.404994 N\n0.965080 0.401779 0.595006 N\n0.425158 0.736164 0.295743 N\n0.574842 0.263836 0.704257 N\n0.324366 0.888234 0.387344 N\n0.675634 0.111766 0.612656 N\n0.195700 0.778043 0.195429 N\n0.804300 0.221957 0.804571 N\n0.574820 0.281391 0.081558 O\n0.425180 0.718609 0.918442 O\n0.434102 0.036412 0.124962 O\n0.565898 0.963588 0.875038 O\n0.235519 0.198976 0.071738 O\n0.764481 0.801024 0.928262 O\n0.925316 0.378232 0.228953 O\n0.074684 0.621768 0.771047 O\n0.150819 0.438642 0.200733 O\n0.849181 0.561358 0.799267 O\n0.289814 0.415779 0.407484 O\n0.710186 0.584221 0.592516 O\n0.293540 0.569935 0.541178 O\n0.706460 0.430065 0.458822 O\n0.048551 0.643642 0.505365 O\n0.951449 0.356358 0.494635 O\n0.949550 0.622743 0.326900 O\n0.050450 0.377257 0.673100 O\n0.426380 0.656176 0.214662 O\n0.573620 0.343824 0.785338 O\n0.523403 0.769421 0.389472 O\n0.476597 0.230579 0.610528 O\n0.271954 0.853463 0.460525 O\n0.728046 0.146537 0.539475 O\n0.385614 0.995316 0.391660 O\n0.614386 0.004684 0.608340 O\n0.111250 0.846958 0.207394 O\n0.888750 0.153042 0.792606 O\n0.172096 0.699229 0.105635 O\n0.827904 0.300771 0.894365 O\n0.142711 0.171878 0.571690 O\n0.857289 0.828122 0.428310 O\n0.944769 0.042034 0.359003 O\n0.055231 0.957966 0.640997 O\n",
            "nsites": 126,
            "nelements": 5,
            "elements": [
                "Zn",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Zn",
            "density": 1.7317641700849835,
            "density_atomic": 0.09780793534615534,
            "volume": 1288.2390324882044,
            "volume_molar": 6.157108560452524,
            "formula_full": "Zn2 H44 C10 N36 O34",
            "formula_reduced": "ZnH22C5N18O17",
            "formula_anonymous": "AB5C17D18E22",
            "energy": -774.79429724,
            "energy_per_atom": -6.149161089206349,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -751.43629724,
            "band_gap": 0.9052,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007683,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.926000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-17885",
            "created_at": "2022-09-04T14:48:03.337658Z",
            "structure_string": "Ba8 Ge8 Te20\n1.0\n9.364862 0.000000 0.000000\n0.000000 10.100318 0.000000\n0.000000 0.000000 13.619469\nBa Ge Te\n8 8 20\ndirect\n0.603423 0.919533 0.334292 Ba\n0.396577 0.419533 0.665708 Ba\n0.896577 0.919533 0.834292 Ba\n0.103423 0.419533 0.165708 Ba\n0.560121 0.436589 0.318098 Ba\n0.439879 0.936589 0.681902 Ba\n0.939879 0.436589 0.818098 Ba\n0.060121 0.936589 0.181902 Ba\n0.178445 0.730069 0.522328 Ge\n0.821555 0.230069 0.477672 Ge\n0.321555 0.730069 0.022328 Ge\n0.678445 0.230069 0.977672 Ge\n0.024423 0.563247 0.435054 Ge\n0.975577 0.063247 0.564946 Ge\n0.475577 0.563247 0.935054 Ge\n0.524423 0.063247 0.064946 Ge\n0.201229 0.364315 0.417001 Te\n0.798771 0.864315 0.582999 Te\n0.298771 0.364315 0.917001 Te\n0.701229 0.864315 0.082999 Te\n0.177886 0.973369 0.446482 Te\n0.822114 0.473369 0.553518 Te\n0.322114 0.973369 0.946482 Te\n0.677886 0.473369 0.053518 Te\n0.875955 0.656759 0.286583 Te\n0.124045 0.156759 0.713417 Te\n0.624045 0.656759 0.786583 Te\n0.375955 0.156759 0.213417 Te\n0.157619 0.701739 0.714815 Te\n0.842381 0.201739 0.285185 Te\n0.342381 0.701739 0.214815 Te\n0.657619 0.201739 0.785185 Te\n0.453476 0.681880 0.495394 Te\n0.546524 0.181880 0.504606 Te\n0.046524 0.681880 0.995394 Te\n0.953476 0.181880 0.004606 Te\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ge",
                "Te"
            ],
            "chemical_system": "Ba-Ge-Te",
            "density": 5.454702368459805,
            "density_atomic": 0.027945114657729135,
            "volume": 1288.2394808869758,
            "volume_molar": 21.54988746247416,
            "formula_full": "Ba8 Ge8 Te20",
            "formula_reduced": "Ba2Ge2Te5",
            "formula_anonymous": "A2B2C5",
            "energy": -154.33358223,
            "energy_per_atom": -4.287043950833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.89358223,
            "band_gap": 0.7633999999999994,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0040846,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:22.035000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-754388",
            "created_at": "2022-09-04T14:45:41.226227Z",
            "structure_string": "Ba4 Sr4 I16\n1.0\n20.978552 0.000000 0.000000\n0.000000 6.081894 0.000000\n0.000000 0.003045 10.098074\nBa Sr I\n4 4 16\ndirect\n0.865443 0.185335 0.755043 Ba\n0.634557 0.185335 0.255043 Ba\n0.365443 0.814665 0.744957 Ba\n0.134557 0.814665 0.244957 Ba\n0.153638 0.294924 0.755493 Sr\n0.346362 0.294924 0.255493 Sr\n0.653638 0.705076 0.744507 Sr\n0.846362 0.705076 0.244507 Sr\n0.697903 0.204607 0.781711 I\n0.397560 0.308274 0.559911 I\n0.305283 0.300694 0.917208 I\n0.802097 0.204607 0.281711 I\n0.012737 0.254794 0.648481 I\n0.102440 0.308274 0.059911 I\n0.194717 0.300694 0.417208 I\n0.487263 0.254794 0.148481 I\n0.512737 0.745206 0.851519 I\n0.805283 0.699306 0.582792 I\n0.897560 0.691726 0.940089 I\n0.987263 0.745206 0.351519 I\n0.197903 0.795393 0.718289 I\n0.694717 0.699306 0.082792 I\n0.602440 0.691726 0.440089 I\n0.302097 0.795393 0.218289 I\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ba",
                "Sr",
                "I"
            ],
            "chemical_system": "Ba-I-Sr",
            "density": 3.7766112179415745,
            "density_atomic": 0.018627661504683757,
            "volume": 1288.4064912799397,
            "volume_molar": 32.329021860772954,
            "formula_full": "Ba4 Sr4 I16",
            "formula_reduced": "BaSrI4",
            "formula_anonymous": "ABC4",
            "energy": -84.77265120999999,
            "energy_per_atom": -3.532193800416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.70865121,
            "band_gap": 3.2802,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0123298,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:14.379000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1196505",
            "created_at": "2022-09-04T14:39:33.113416Z",
            "structure_string": "Na18 Fe2 Mo12 O48\n1.0\n7.845053 -7.551845 0.000000\n7.845053 7.551845 0.000000\n0.575458 0.000000 10.874009\nNa Fe Mo O\n18 2 12 48\ndirect\n0.977706 0.530970 0.739522 Na\n0.739522 0.977706 0.530970 Na\n0.530970 0.739522 0.977706 Na\n0.022294 0.469030 0.260478 Na\n0.260478 0.022294 0.469030 Na\n0.469030 0.260478 0.022294 Na\n0.179492 0.731395 0.936341 Na\n0.936341 0.179492 0.731395 Na\n0.731395 0.936341 0.179492 Na\n0.820508 0.268605 0.063659 Na\n0.063659 0.820508 0.268605 Na\n0.268605 0.063659 0.820508 Na\n0.790532 0.327658 0.531679 Na\n0.531679 0.790532 0.327658 Na\n0.327658 0.531679 0.790532 Na\n0.209468 0.672342 0.468321 Na\n0.468321 0.209468 0.672342 Na\n0.672342 0.468321 0.209468 Na\n0.746405 0.746405 0.746405 Fe\n0.253595 0.253595 0.253595 Fe\n0.830400 0.641126 0.448236 Mo\n0.448236 0.830400 0.641126 Mo\n0.641126 0.448236 0.830400 Mo\n0.169600 0.358874 0.551764 Mo\n0.551764 0.169600 0.358874 Mo\n0.358874 0.551764 0.169600 Mo\n0.127497 0.341925 0.962544 Mo\n0.962544 0.127497 0.341925 Mo\n0.341925 0.962544 0.127497 Mo\n0.872503 0.658075 0.037456 Mo\n0.037456 0.872503 0.658075 Mo\n0.658075 0.037456 0.872503 Mo\n0.749226 0.771666 0.385666 O\n0.385666 0.749226 0.771666 O\n0.771666 0.385666 0.749226 O\n0.250774 0.228334 0.614334 O\n0.614334 0.250774 0.228334 O\n0.228334 0.614334 0.250774 O\n0.772157 0.503265 0.391550 O\n0.391550 0.772157 0.503265 O\n0.503265 0.391550 0.772157 O\n0.227843 0.496735 0.608450 O\n0.608450 0.227843 0.496735 O\n0.496735 0.608450 0.227843 O\n0.989982 0.644730 0.399056 O\n0.399056 0.989982 0.644730 O\n0.644730 0.399056 0.989982 O\n0.010018 0.355270 0.600944 O\n0.600944 0.010018 0.355270 O\n0.355270 0.600944 0.010018 O\n0.816744 0.631062 0.616722 O\n0.616722 0.816744 0.631062 O\n0.631062 0.616722 0.816744 O\n0.183256 0.368938 0.383278 O\n0.383278 0.183256 0.368938 O\n0.368938 0.383278 0.183256 O\n0.262579 0.271931 0.895803 O\n0.895803 0.262579 0.271931 O\n0.271931 0.895803 0.262579 O\n0.737421 0.728069 0.104197 O\n0.104197 0.737421 0.728069 O\n0.728069 0.104197 0.737421 O\n0.995832 0.265827 0.914797 O\n0.914797 0.995832 0.265827 O\n0.265827 0.914797 0.995832 O\n0.004168 0.734173 0.085203 O\n0.085203 0.004168 0.734173 O\n0.734173 0.085203 0.004168 O\n0.120953 0.499055 0.904909 O\n0.904909 0.120953 0.499055 O\n0.499055 0.904909 0.120953 O\n0.879047 0.500945 0.095091 O\n0.095091 0.879047 0.500945 O\n0.500945 0.095091 0.879047 O\n0.134342 0.329110 0.131389 O\n0.131389 0.134342 0.329110 O\n0.329110 0.131389 0.134342 O\n0.865658 0.670890 0.868611 O\n0.868611 0.865658 0.670890 O\n0.670890 0.868611 0.865658 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Na",
                "Fe",
                "Mo",
                "O"
            ],
            "chemical_system": "Fe-Mo-Na-O",
            "density": 3.1507661484821665,
            "density_atomic": 0.062089956227047056,
            "volume": 1288.453155087765,
            "volume_molar": 9.69905782825579,
            "formula_full": "Na18 Fe2 Mo12 O48",
            "formula_reduced": "Na9Fe(MoO4)6",
            "formula_anonymous": "AB6C9D24",
            "energy": -576.60828806,
            "energy_per_atom": -7.20760360075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -500.69628806,
            "band_gap": 2.9776,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0243618,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.100000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1019891",
            "created_at": "2022-09-04T14:40:35.154700Z",
            "structure_string": "K12 P12 S12 O24\n1.0\n8.190494 0.000000 0.000000\n0.000000 11.344333 0.000000\n0.000000 0.000000 13.869956\nK P S O\n12 12 12 24\ndirect\n0.324397 0.918313 0.173947 K\n0.675603 0.081687 0.673947 K\n0.824397 0.581687 0.673947 K\n0.175603 0.418313 0.173947 K\n0.315039 0.921968 0.830030 K\n0.684961 0.078032 0.330030 K\n0.815039 0.578032 0.330030 K\n0.184961 0.421968 0.830030 K\n0.187863 0.005203 0.502934 K\n0.812137 0.994797 0.002934 K\n0.687863 0.494797 0.002934 K\n0.312137 0.505203 0.502934 K\n0.481748 0.792791 0.394796 P\n0.518252 0.207209 0.894796 P\n0.981748 0.707209 0.894796 P\n0.018252 0.292791 0.394796 P\n0.293939 0.663026 0.002402 P\n0.706061 0.336974 0.502402 P\n0.793939 0.836974 0.502402 P\n0.206061 0.163026 0.002402 P\n0.483805 0.790918 0.611196 P\n0.516195 0.209082 0.111196 P\n0.983805 0.709082 0.111196 P\n0.016195 0.290918 0.611196 P\n0.497690 0.753211 0.000228 S\n0.502310 0.246789 0.500228 S\n0.997690 0.746789 0.500228 S\n0.002310 0.253211 0.000228 S\n0.431602 0.661484 0.699109 S\n0.568398 0.338516 0.199109 S\n0.931602 0.838516 0.199109 S\n0.068398 0.161484 0.699109 S\n0.426769 0.664957 0.305984 S\n0.573231 0.335043 0.805984 S\n0.926769 0.835043 0.805984 S\n0.073231 0.164957 0.305984 S\n0.417593 0.755162 0.502935 O\n0.582407 0.244838 0.002935 O\n0.917593 0.744838 0.002935 O\n0.082407 0.255162 0.502935 O\n0.071755 0.416672 0.371740 O\n0.928245 0.583328 0.871740 O\n0.571755 0.083328 0.871740 O\n0.428245 0.916672 0.371740 O\n0.429351 0.914353 0.635189 O\n0.570649 0.085647 0.135189 O\n0.929351 0.585647 0.135189 O\n0.070649 0.414353 0.635189 O\n0.198726 0.030771 0.003394 O\n0.801274 0.969229 0.503394 O\n0.698726 0.469229 0.503394 O\n0.301274 0.530771 0.003394 O\n0.319449 0.209044 0.911606 O\n0.680551 0.790956 0.411606 O\n0.819449 0.290956 0.411606 O\n0.180551 0.709044 0.911606 O\n0.317354 0.210172 0.093810 O\n0.682646 0.789828 0.593810 O\n0.817354 0.289828 0.593810 O\n0.182646 0.710172 0.093810 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "K",
                "P",
                "S",
                "O"
            ],
            "chemical_system": "K-O-P-S",
            "density": 2.074011221986787,
            "density_atomic": 0.04655722688441182,
            "volume": 1288.7365510184425,
            "volume_molar": 12.934921521316637,
            "formula_full": "K12 P12 S12 O24",
            "formula_reduced": "KPSO2",
            "formula_anonymous": "ABCD2",
            "energy": -372.95850875,
            "energy_per_atom": -6.215975145833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -350.43450875,
            "band_gap": 4.0731,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0045953,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:05.885000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-1096609",
            "created_at": "2022-09-04T14:46:53.311194Z",
            "structure_string": "Sc2 Tl1 Cr1\n1.0\n-5.707331 6.304882 8.953817\n5.707331 -6.304882 8.953817\n5.707331 6.304882 -8.953817\nSc Tl Cr\n2 1 1\ndirect\n0.000000 0.250512 0.250512 Sc\n0.000000 0.749488 0.749488 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cr\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sc",
                "Tl",
                "Cr"
            ],
            "chemical_system": "Cr-Sc-Tl",
            "density": 0.4461823168891156,
            "density_atomic": 0.0031037144826491355,
            "volume": 1288.778340392268,
            "volume_molar": 194.0301143570358,
            "formula_full": "Sc2 Tl1 Cr1",
            "formula_reduced": "Sc2TlCr",
            "formula_anonymous": "ABC2",
            "energy": -14.46868896,
            "energy_per_atom": -3.61717224,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.46868896,
            "band_gap": 0.0653000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0030011,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:39.718000Z",
            "spacegroup": 71
        }
    ]
}