GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12186
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=is_gap_direct&page=12187",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12185",
    "results": [
        {
            "id": "mp-1093567",
            "created_at": "2022-09-04T14:43:14.473717Z",
            "structure_string": "Y2 Cd1 Pd1\n1.0\n-5.803976 6.300111 8.924080\n5.803976 -6.300111 8.924080\n5.803976 6.300111 -8.924080\nY Cd Pd\n2 1 1\ndirect\n0.000000 0.217925 0.217925 Y\n0.000000 0.782075 0.782075 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Y",
                "Cd",
                "Pd"
            ],
            "chemical_system": "Cd-Pd-Y",
            "density": 0.504604719204333,
            "density_atomic": 0.0030645219470913374,
            "volume": 1305.260679825303,
            "volume_molar": 196.51158856003167,
            "formula_full": "Y2 Cd1 Pd1",
            "formula_reduced": "Y2CdPd",
            "formula_anonymous": "ABC2",
            "energy": -11.81513611,
            "energy_per_atom": -2.9537840275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.81513611,
            "band_gap": 0.0474000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9993308,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.003000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1196173",
            "created_at": "2022-09-04T14:43:12.524765Z",
            "structure_string": "Na24 Nb8 S32\n1.0\n0.000000 13.756883 14.350384\n4.016417 0.000000 14.350384\n4.016417 13.756883 0.000000\nNa Nb S\n24 8 32\ndirect\n0.369189 0.354930 0.439520 Na\n0.836361 0.439520 0.354930 Na\n0.810480 0.413639 0.880811 Na\n0.895070 0.880811 0.413639 Na\n0.846531 0.967599 0.878064 Na\n0.307806 0.878064 0.967599 Na\n0.371936 0.942194 0.403469 Na\n0.282401 0.403469 0.942194 Na\n0.670050 0.885341 0.070324 Na\n0.374285 0.070324 0.885341 Na\n0.179676 0.875715 0.579950 Na\n0.364659 0.579950 0.875715 Na\n0.733558 0.773685 0.263016 Na\n0.229741 0.263016 0.773685 Na\n0.986984 0.020259 0.516442 Na\n0.476315 0.516442 0.020259 Na\n0.164397 0.581595 0.384418 Na\n0.869590 0.384418 0.581595 Na\n0.865582 0.380410 0.085603 Na\n0.668405 0.085603 0.380410 Na\n0.250479 0.249521 0.249521 Na\n0.000479 0.999521 0.999521 Na\n0.763072 0.736928 0.736928 Na\n0.513072 0.486928 0.486928 Na\n0.073068 0.696345 0.907006 Nb\n0.323581 0.907006 0.696345 Nb\n0.342994 0.926419 0.176932 Nb\n0.553655 0.176932 0.926419 Nb\n0.574066 0.413523 0.180658 Nb\n0.831754 0.180658 0.413523 Nb\n0.069342 0.418246 0.675934 Nb\n0.836477 0.675934 0.418246 Nb\n0.846458 0.965394 0.655169 S\n0.532978 0.655169 0.965394 S\n0.594831 0.717022 0.403542 S\n0.284606 0.403542 0.717022 S\n0.494918 0.192894 0.132703 S\n0.179485 0.132703 0.192894 S\n0.117297 0.070515 0.755082 S\n0.057106 0.755082 0.070515 S\n0.363889 0.140650 0.467714 S\n0.027747 0.467714 0.140650 S\n0.782286 0.222253 0.886111 S\n0.109350 0.886111 0.222253 S\n0.013122 0.614987 0.676802 S\n0.695089 0.676802 0.614987 S\n0.573198 0.554911 0.236878 S\n0.635013 0.236878 0.554911 S\n0.149768 0.750301 0.741308 S\n0.358623 0.741308 0.750301 S\n0.508692 0.891377 0.100232 S\n0.499699 0.100232 0.891377 S\n0.794468 0.887283 0.105707 S\n0.212541 0.105707 0.887283 S\n0.144293 0.037459 0.455532 S\n0.362717 0.455532 0.037459 S\n0.294339 0.630030 0.360215 S\n0.715416 0.360215 0.630030 S\n0.889785 0.534584 0.955661 S\n0.619970 0.955661 0.534584 S\n0.641767 0.252361 0.244787 S\n0.861084 0.244787 0.252361 S\n0.005213 0.388916 0.608233 S\n0.997639 0.608233 0.388916 S\n",
            "nsites": 64,
            "nelements": 3,
            "elements": [
                "Na",
                "Nb",
                "S"
            ],
            "chemical_system": "Na-Nb-S",
            "density": 2.430456642869929,
            "density_atomic": 0.040357812245612204,
            "volume": 1585.8144046685343,
            "volume_molar": 14.921871193983618,
            "formula_full": "Na24 Nb8 S32",
            "formula_reduced": "Na3NbS4",
            "formula_anonymous": "AB3C4",
            "energy": -331.3493564,
            "energy_per_atom": -5.17733369375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -315.2533564,
            "band_gap": 2.2364,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.78e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.919000Z",
            "spacegroup": 43
        },
        {
            "id": "mp-863356",
            "created_at": "2022-09-04T14:43:14.487069Z",
            "structure_string": "Li5 Fe5 Si7 O24\n1.0\n7.866604 0.000000 0.000000\n-0.136468 7.906160 0.000000\n-0.154108 -0.064661 9.366291\nLi Fe Si O\n5 5 7 24\ndirect\n0.422482 0.293715 0.742554 Li\n0.519727 0.765315 0.242811 Li\n0.748986 0.544250 0.266423 Li\n0.775253 0.994789 0.997590 Li\n0.013570 0.257328 0.022237 Li\n0.382287 0.152680 0.996814 Fe\n0.410333 0.594888 0.003746 Fe\n0.573308 0.419558 0.504452 Fe\n0.674010 0.124040 0.255062 Fe\n0.844021 0.620366 0.989901 Fe\n0.084272 0.070814 0.255522 Si\n0.128796 0.674870 0.263425 Si\n0.150698 0.372957 0.489415 Si\n0.318032 0.882597 0.740751 Si\n0.616181 0.836194 0.516640 Si\n0.872783 0.318094 0.738846 Si\n0.925910 0.921266 0.738728 Si\n0.013768 0.368600 0.619533 O\n0.106324 0.875684 0.311301 O\n0.125111 0.551791 0.404724 O\n0.115979 0.881816 0.684954 O\n0.110963 0.204785 0.389183 O\n0.201657 0.127448 0.122610 O\n0.307884 0.660114 0.181400 O\n0.349446 0.735455 0.855409 O\n0.344629 0.367108 0.553959 O\n0.361742 0.069449 0.806419 O\n0.377990 0.377011 0.934751 O\n0.440467 0.853705 0.602969 O\n0.574382 0.061227 0.079472 O\n0.630401 0.644684 0.449446 O\n0.602304 0.948703 0.372786 O\n0.635592 0.634735 0.083828 O\n0.655404 0.336787 0.333805 O\n0.679731 0.340933 0.676332 O\n0.786358 0.888014 0.611005 O\n0.874402 0.819230 0.883245 O\n0.896766 0.097033 0.177697 O\n0.904746 0.420549 0.890183 O\n0.906209 0.120819 0.795295 O\n0.966538 0.607068 0.165922 O\n",
            "nsites": 41,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "Si",
                "O"
            ],
            "chemical_system": "Fe-Li-O-Si",
            "density": 2.549856580350723,
            "density_atomic": 0.0703822785185416,
            "volume": 582.5330020993695,
            "volume_molar": 8.556331063384825,
            "formula_full": "Li5 Fe5 Si7 O24",
            "formula_reduced": "Li5Fe5Si7O24",
            "formula_anonymous": "A5B5C7D24",
            "energy": -314.31815521,
            "energy_per_atom": -7.666296468536585,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -286.55015521,
            "band_gap": 2.3908,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 25.0212152,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.853000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-760963",
            "created_at": "2022-09-04T14:43:23.901033Z",
            "structure_string": "Li10 V6 Cr2 O16\n1.0\n2.957240 -5.122090 0.000000\n2.957240 5.122090 0.000000\n0.000000 0.000000 9.945179\nLi V Cr O\n10 6 2 16\ndirect\n0.000000 0.000000 0.514321 Li\n0.333333 0.666667 0.724699 Li\n0.196389 0.803611 0.945169 Li\n0.196389 0.392778 0.945169 Li\n0.607222 0.803611 0.945169 Li\n0.392778 0.196389 0.445169 Li\n0.666667 0.333333 0.224699 Li\n0.803611 0.607222 0.445169 Li\n0.803611 0.196389 0.445169 Li\n0.000000 0.000000 0.014321 Li\n0.169934 0.830066 0.212493 V\n0.830066 0.660133 0.712493 V\n0.169934 0.339867 0.212493 V\n0.660133 0.830066 0.212493 V\n0.339867 0.169934 0.712493 V\n0.830066 0.169934 0.712493 V\n0.333333 0.666667 0.473596 Cr\n0.666667 0.333333 0.973596 Cr\n0.165402 0.834598 0.589904 O\n0.021500 0.510750 0.340127 O\n0.000000 0.000000 0.824293 O\n0.165402 0.330804 0.589904 O\n0.489250 0.978500 0.340127 O\n0.333333 0.666667 0.090978 O\n0.489250 0.510750 0.340127 O\n0.330804 0.165402 0.089904 O\n0.669196 0.834598 0.589904 O\n0.510750 0.489250 0.840127 O\n0.834598 0.669196 0.089904 O\n0.510750 0.021500 0.840127 O\n0.666667 0.333333 0.590978 O\n0.978500 0.489250 0.840127 O\n0.834598 0.165402 0.089904 O\n0.000000 0.000000 0.324293 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-O-V",
            "density": 4.05120891180016,
            "density_atomic": 0.1128502537812246,
            "volume": 301.2842139098205,
            "volume_molar": 5.336399838032026,
            "formula_full": "Li10 V6 Cr2 O16",
            "formula_reduced": "Li5V3CrO8",
            "formula_anonymous": "AB3C5D8",
            "energy": -249.38986098,
            "energy_per_atom": -7.33499591117647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -224.19986098,
            "band_gap": 0.2381999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 19.9999299,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.401000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1198457",
            "created_at": "2022-09-04T14:43:12.532071Z",
            "structure_string": "K8 U4 Mo8 O44\n1.0\n8.109116 0.000000 0.000000\n0.000000 11.046436 0.000000\n-2.206024 0.000000 13.496606\nK U Mo O\n8 4 8 44\ndirect\n0.241179 0.579153 0.372977 K\n0.758821 0.079153 0.127023 K\n0.758821 0.420847 0.627023 K\n0.241179 0.920847 0.872977 K\n0.933281 0.828604 0.593554 K\n0.066719 0.328604 0.906446 K\n0.066719 0.171396 0.406446 K\n0.933281 0.671396 0.093554 K\n0.473287 0.758669 0.645354 U\n0.526713 0.258669 0.854646 U\n0.526713 0.241331 0.354646 U\n0.473287 0.741331 0.145354 U\n0.512083 0.898048 0.406724 Mo\n0.487917 0.398048 0.093276 Mo\n0.487917 0.101952 0.593276 Mo\n0.512083 0.601952 0.906724 Mo\n0.762625 0.543880 0.357129 Mo\n0.237375 0.043880 0.142871 Mo\n0.237375 0.456120 0.642871 Mo\n0.762625 0.956120 0.857129 Mo\n0.427839 0.054019 0.416237 O\n0.572161 0.554019 0.083763 O\n0.572161 0.945981 0.583763 O\n0.427839 0.445981 0.916237 O\n0.424951 0.773387 0.470784 O\n0.575049 0.273387 0.029216 O\n0.575049 0.226613 0.529216 O\n0.424951 0.726613 0.970784 O\n0.274810 0.832699 0.657116 O\n0.725190 0.332699 0.842884 O\n0.725190 0.167301 0.342884 O\n0.274810 0.667301 0.157116 O\n0.671752 0.415895 0.416437 O\n0.328248 0.915895 0.083563 O\n0.328248 0.584105 0.583563 O\n0.671752 0.084105 0.916437 O\n0.673727 0.684817 0.638050 O\n0.326273 0.184817 0.861950 O\n0.326273 0.315183 0.361950 O\n0.673727 0.815183 0.138050 O\n0.437264 0.864100 0.278052 O\n0.562736 0.364100 0.221948 O\n0.562736 0.135900 0.721948 O\n0.437264 0.635900 0.778052 O\n0.869710 0.630922 0.454917 O\n0.130290 0.130922 0.045083 O\n0.130290 0.369078 0.545083 O\n0.869710 0.869078 0.954917 O\n0.597415 0.635904 0.285571 O\n0.402585 0.135904 0.214429 O\n0.402585 0.364096 0.714429 O\n0.597415 0.864096 0.785571 O\n0.729058 0.896175 0.419705 O\n0.270942 0.396175 0.080295 O\n0.270942 0.103825 0.580295 O\n0.729058 0.603825 0.919705 O\n0.914197 0.499585 0.283459 O\n0.085803 0.999585 0.216541 O\n0.085803 0.500415 0.716541 O\n0.914197 0.000415 0.783459 O\n0.977817 0.294793 0.191443 O\n0.022183 0.794793 0.308557 O\n0.022183 0.705207 0.808557 O\n0.977817 0.205207 0.691443 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "K",
                "U",
                "Mo",
                "O"
            ],
            "chemical_system": "K-Mo-O-U",
            "density": 3.7584408833936127,
            "density_atomic": 0.05293704688582383,
            "volume": 1208.9831935286657,
            "volume_molar": 11.376042137349916,
            "formula_full": "K8 U4 Mo8 O44",
            "formula_reduced": "K2UMo2O11",
            "formula_anonymous": "AB2C2D11",
            "energy": -502.47234889,
            "energy_per_atom": -7.85113045140625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -446.62834889,
            "band_gap": 0.688,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.1747205,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:05.740000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-37747",
            "created_at": "2022-09-04T14:43:18.570471Z",
            "structure_string": "Li8 H8 S8\n1.0\n3.957300 0.000000 0.000000\n0.000000 7.915966 0.000000\n0.000000 0.000000 12.331037\nLi H S\n8 8 8\ndirect\n0.500327 0.003116 0.874967 Li\n0.499673 0.996884 0.125033 Li\n0.500327 0.996884 0.374967 Li\n0.499673 0.503116 0.874967 Li\n0.499673 0.496884 0.374967 Li\n0.499673 0.003116 0.625033 Li\n0.500327 0.496884 0.125033 Li\n0.500327 0.503116 0.625033 Li\n0.145133 0.250000 0.000000 H\n0.145133 0.750000 0.500000 H\n0.854867 0.750000 0.000000 H\n0.854867 0.250000 0.500000 H\n0.000000 0.823799 0.750000 H\n0.000000 0.176201 0.250000 H\n0.000000 0.323799 0.750000 H\n0.000000 0.676201 0.250000 H\n0.486637 0.250000 0.000000 S\n0.513363 0.250000 0.500000 S\n0.513363 0.750000 0.000000 S\n0.486637 0.750000 0.500000 S\n0.000000 0.994411 0.750000 S\n0.000000 0.005589 0.250000 S\n0.000000 0.494411 0.750000 S\n0.000000 0.505589 0.250000 S\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Li",
                "H",
                "S"
            ],
            "chemical_system": "H-Li-S",
            "density": 1.3760933778587887,
            "density_atomic": 0.06213105750071085,
            "volume": 386.2802431734791,
            "volume_molar": 9.692641654990501,
            "formula_full": "Li8 H8 S8",
            "formula_reduced": "LiHS",
            "formula_anonymous": "ABC",
            "energy": -97.9412567,
            "energy_per_atom": -4.0808856958333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -93.9172567,
            "band_gap": 3.4957000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009083,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.634000Z",
            "spacegroup": 54
        },
        {
            "id": "mp-1275240",
            "created_at": "2022-09-04T14:43:16.888310Z",
            "structure_string": "Ba8 Mn4 Nb4 O24\n1.0\n4.164574 -0.010641 4.033275\n-0.010799 4.163952 4.033239\n-12.498576 -8.322095 12.125662\nBa Mn Nb O\n8 4 4 24\ndirect\n0.505798 0.993730 0.500071 Ba\n0.244545 0.506010 0.750144 Ba\n0.006745 0.993501 0.999986 Ba\n0.743014 0.506947 0.250154 Ba\n0.881357 0.243540 0.624827 Ba\n0.619592 0.756190 0.874920 Ba\n0.381236 0.243639 0.124851 Ba\n0.117967 0.756677 0.375038 Ba\n0.563293 0.874538 0.687379 Mn\n0.312491 0.375315 0.937519 Mn\n0.062002 0.875322 0.187492 Mn\n0.812162 0.374791 0.437509 Mn\n0.198367 0.613696 0.562507 Nb\n0.926882 0.136008 0.812487 Nb\n0.698384 0.613947 0.062472 Nb\n0.425942 0.136355 0.312503 Nb\n0.524206 0.479916 0.501182 O\n0.211736 0.026796 0.751950 O\n0.024334 0.480029 0.001086 O\n0.711362 0.027083 0.252005 O\n0.913273 0.723166 0.623067 O\n0.601000 0.270137 0.873890 O\n0.413438 0.722969 0.123016 O\n0.100930 0.269723 0.373993 O\n0.394261 0.735028 0.625270 O\n0.110553 0.268936 0.875526 O\n0.894126 0.735221 0.125293 O\n0.610104 0.268836 0.375536 O\n0.014477 0.481177 0.499439 O\n0.730803 0.014971 0.749772 O\n0.514903 0.481372 0.999387 O\n0.230507 0.014946 0.249771 O\n0.029051 0.959277 0.501924 O\n0.732925 0.523019 0.751036 O\n0.529273 0.959263 0.001930 O\n0.232162 0.522885 0.251071 O\n0.392383 0.226842 0.623947 O\n0.096406 0.790529 0.873082 O\n0.892240 0.226904 0.123935 O\n0.595772 0.790772 0.373036 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mn",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Mn-Nb-O",
            "density": 6.1404426242940735,
            "density_atomic": 0.07131914927980568,
            "volume": 560.8591858417774,
            "volume_molar": 8.443932409195456,
            "formula_full": "Ba8 Mn4 Nb4 O24",
            "formula_reduced": "Ba2MnNbO6",
            "formula_anonymous": "ABC2D6",
            "energy": -329.67257061000004,
            "energy_per_atom": -8.241814265250001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.51257061,
            "band_gap": 1.1475,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 16.0006208,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.675000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-761138",
            "created_at": "2022-09-04T14:43:20.882757Z",
            "structure_string": "Li4 Mn8 O2 F16\n1.0\n2.684650 4.741699 0.000000\n-2.684650 4.741699 0.000000\n0.000000 0.210201 14.687997\nLi Mn O F\n4 8 2 16\ndirect\n0.999359 0.991594 0.844202 Li\n0.986134 0.033833 0.633986 Li\n0.991594 0.999359 0.344202 Li\n0.033833 0.986134 0.133986 Li\n0.644330 0.675665 0.980058 Mn\n0.682653 0.655540 0.683258 Mn\n0.655540 0.682653 0.183258 Mn\n0.675665 0.644330 0.480058 Mn\n0.329117 0.328481 0.814917 Mn\n0.328481 0.329117 0.314917 Mn\n0.344868 0.307848 0.032810 Mn\n0.307848 0.344868 0.532810 Mn\n0.385491 0.945621 0.082010 O\n0.945621 0.385491 0.582010 O\n0.303059 0.699073 0.252032 F\n0.335943 0.697507 0.582592 F\n0.697507 0.335943 0.082592 F\n0.699073 0.303059 0.752032 F\n0.990580 0.320163 0.254576 F\n0.667359 0.988607 0.583854 F\n0.021141 0.339234 0.915924 F\n0.320163 0.990580 0.754576 F\n0.988607 0.667359 0.083854 F\n0.339234 0.021141 0.415924 F\n0.033966 0.645345 0.412696 F\n0.998440 0.699162 0.754009 F\n0.317465 0.630952 0.916311 F\n0.645345 0.033966 0.912696 F\n0.699162 0.998440 0.254009 F\n0.630952 0.317465 0.416311 F\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-Mn-O",
            "density": 3.5668189808472683,
            "density_atomic": 0.08022450160457392,
            "volume": 373.9505936461882,
            "volume_molar": 7.506610374076357,
            "formula_full": "Li4 Mn8 O2 F16",
            "formula_reduced": "Li2Mn4OF8",
            "formula_anonymous": "AB2C4D8",
            "energy": -205.90724427,
            "energy_per_atom": -6.863574809,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -183.79724427,
            "band_gap": 1.1865,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 40.000899,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.723000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-541430",
            "created_at": "2022-09-04T14:43:20.591460Z",
            "structure_string": "Ba4 La4 Cu4 Se12\n1.0\n4.309959 0.000000 0.000000\n0.000000 11.247394 0.000000\n0.000000 0.000000 14.032393\nBa La Cu Se\n4 4 4 12\ndirect\n0.750000 0.228307 0.495890 Ba\n0.250000 0.771693 0.504110 Ba\n0.750000 0.728307 0.004110 Ba\n0.250000 0.271693 0.995890 Ba\n0.750000 0.490313 0.740240 La\n0.250000 0.509687 0.259760 La\n0.750000 0.990313 0.759760 La\n0.250000 0.009687 0.240240 La\n0.750000 0.258616 0.216522 Cu\n0.250000 0.741384 0.783478 Cu\n0.750000 0.758616 0.283478 Cu\n0.250000 0.241384 0.716522 Cu\n0.750000 0.442144 0.117817 Se\n0.250000 0.557856 0.882183 Se\n0.750000 0.942144 0.382183 Se\n0.250000 0.057856 0.617817 Se\n0.750000 0.244538 0.818296 Se\n0.250000 0.755462 0.181704 Se\n0.750000 0.744538 0.681704 Se\n0.250000 0.255462 0.318296 Se\n0.750000 0.087958 0.105517 Se\n0.250000 0.912042 0.894483 Se\n0.750000 0.587958 0.394483 Se\n0.250000 0.412042 0.605517 Se\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "La",
                "Cu",
                "Se"
            ],
            "chemical_system": "Ba-Cu-La-Se",
            "density": 5.630811347396751,
            "density_atomic": 0.03528210228707495,
            "volume": 680.231574771893,
            "volume_molar": 17.068542886136687,
            "formula_full": "Ba4 La4 Cu4 Se12",
            "formula_reduced": "BaLaCuSe3",
            "formula_anonymous": "ABCD3",
            "energy": -130.31801171,
            "energy_per_atom": -5.429917154583333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -124.65401171,
            "band_gap": 1.2052999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002294,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.502000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1200796",
            "created_at": "2022-09-04T14:43:12.601617Z",
            "structure_string": "Ba6 In4 P8 O32\n1.0\n9.802083 0.000000 0.000000\n0.000000 9.075361 0.000000\n0.000000 3.959689 8.417123\nBa In P O\n6 4 8 32\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.676471 0.272429 0.053972 Ba\n0.176471 0.727571 0.446028 Ba\n0.323529 0.727571 0.946028 Ba\n0.823529 0.272429 0.553972 Ba\n0.126918 0.258034 0.241524 In\n0.626918 0.741966 0.258476 In\n0.873082 0.741966 0.758476 In\n0.373082 0.258034 0.741524 In\n0.361457 0.029554 0.145232 P\n0.861457 0.970446 0.354768 P\n0.638543 0.970446 0.854768 P\n0.138543 0.029554 0.645232 P\n0.913768 0.584234 0.184721 P\n0.413768 0.415766 0.315279 P\n0.086232 0.415766 0.815279 P\n0.586232 0.584234 0.684721 P\n0.410171 0.180022 0.995554 O\n0.910171 0.819978 0.504446 O\n0.589829 0.819978 0.004446 O\n0.089829 0.180022 0.495554 O\n0.492815 0.941903 0.238438 O\n0.992815 0.058097 0.261562 O\n0.507185 0.058097 0.761562 O\n0.007185 0.941903 0.738438 O\n0.268799 0.912523 0.109555 O\n0.768799 0.087477 0.390445 O\n0.731201 0.087477 0.890445 O\n0.231201 0.912523 0.609555 O\n0.287346 0.078483 0.267688 O\n0.787346 0.921517 0.232312 O\n0.712654 0.921517 0.732312 O\n0.212654 0.078483 0.767688 O\n0.783543 0.565931 0.291438 O\n0.283543 0.434069 0.208562 O\n0.216457 0.434069 0.708562 O\n0.716457 0.565931 0.791438 O\n0.945146 0.404755 0.215387 O\n0.445146 0.595245 0.284613 O\n0.054854 0.595245 0.784613 O\n0.554854 0.404755 0.715387 O\n0.878946 0.692464 0.008656 O\n0.378946 0.307536 0.491344 O\n0.121054 0.307536 0.991344 O\n0.621054 0.692464 0.508656 O\n0.031879 0.664780 0.234425 O\n0.531879 0.335220 0.265575 O\n0.968121 0.335220 0.765575 O\n0.468121 0.664780 0.734425 O\n",
            "nsites": 50,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "P",
                "O"
            ],
            "chemical_system": "Ba-In-O-P",
            "density": 4.530775529321387,
            "density_atomic": 0.06677656047811548,
            "volume": 748.7657292020361,
            "volume_molar": 9.018345235037408,
            "formula_full": "Ba6 In4 P8 O32",
            "formula_reduced": "Ba3In2(PO4)4",
            "formula_anonymous": "A2B3C4D16",
            "energy": -370.64767361,
            "energy_per_atom": -7.412953472200001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -348.66367361,
            "band_gap": 3.7254,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0040609,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.802000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-752510",
            "created_at": "2022-09-04T14:43:21.702122Z",
            "structure_string": "Li6 Ti4 V6 O20\n1.0\n-1.028095 5.040319 -0.127536\n-6.537846 -2.947040 7.213009\n2.863206 1.905968 7.330895\nLi Ti V O\n6 4 6 20\ndirect\n0.999968 0.000002 0.500001 Li\n0.499966 0.500003 0.000010 Li\n0.604476 0.088959 0.306925 Li\n0.104040 0.589099 0.806818 Li\n0.395463 0.911036 0.693077 Li\n0.895896 0.410901 0.193230 Li\n0.312675 0.286719 0.400979 Ti\n0.811656 0.786874 0.900327 Ti\n0.687323 0.713279 0.599038 Ti\n0.188298 0.213129 0.099664 Ti\n0.999970 0.499963 0.499998 V\n0.069041 0.105323 0.793648 V\n0.930915 0.894694 0.206345 V\n0.500075 0.999900 0.000031 V\n0.569238 0.605426 0.293087 V\n0.430883 0.394587 0.706896 V\n0.632459 0.407798 0.448175 O\n0.132381 0.908022 0.947852 O\n0.367640 0.592232 0.551822 O\n0.867566 0.091985 0.052159 O\n0.993107 0.209774 0.314600 O\n0.492623 0.709990 0.814214 O\n0.006867 0.790245 0.685410 O\n0.507357 0.290013 0.185785 O\n0.095928 0.310436 0.629580 O\n0.595460 0.810424 0.129259 O\n0.904187 0.689608 0.370377 O\n0.404500 0.189558 0.870765 O\n0.271852 0.012268 0.216286 O\n0.771954 0.512471 0.715975 O\n0.728092 0.987733 0.783735 O\n0.228146 0.487554 0.283976 O\n0.299708 0.104150 0.561967 O\n0.799386 0.604332 0.061705 O\n0.700259 0.895854 0.438024 O\n0.200646 0.395657 0.938263 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "V",
                "O"
            ],
            "chemical_system": "Li-O-Ti-V",
            "density": 3.727818469521012,
            "density_atomic": 0.09411111161697497,
            "volume": 382.52656228859826,
            "volume_molar": 6.398968895946797,
            "formula_full": "Li6 Ti4 V6 O20",
            "formula_reduced": "Li3Ti2V3O10",
            "formula_anonymous": "A2B3C3D10",
            "energy": -297.36963196,
            "energy_per_atom": -8.260267554444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -273.42963196,
            "band_gap": 1.3123999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.112000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-510065",
            "created_at": "2022-09-04T14:43:12.620475Z",
            "structure_string": "Cs2 Nd2 Hg2 Se6\n1.0\n2.204682 -8.183977 0.000000\n2.204682 8.183977 0.000000\n0.000000 0.000000 11.412655\nCs Nd Hg Se\n2 2 2 6\ndirect\n0.743643 0.256357 0.250000 Cs\n0.256357 0.743643 0.750000 Cs\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.543931 0.456069 0.750000 Hg\n0.456069 0.543931 0.250000 Hg\n0.378645 0.621355 0.452921 Se\n0.061265 0.938735 0.250000 Se\n0.938735 0.061265 0.750000 Se\n0.621355 0.378645 0.547079 Se\n0.378645 0.621355 0.047079 Se\n0.621355 0.378645 0.952921 Se\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Cs",
                "Nd",
                "Hg",
                "Se"
            ],
            "chemical_system": "Cs-Hg-Nd-Se",
            "density": 5.762695472659977,
            "density_atomic": 0.029137628710099506,
            "volume": 411.838592611369,
            "volume_molar": 20.667916459216332,
            "formula_full": "Cs2 Nd2 Hg2 Se6",
            "formula_reduced": "CsNdHgSe3",
            "formula_anonymous": "ABCD3",
            "energy": -50.51807926,
            "energy_per_atom": -4.209839938333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.68607926,
            "band_gap": 1.3539,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0021648,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.988000Z",
            "spacegroup": 63
        }
    ]
}