GET /third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10201
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=-spacegroup&page=10202",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10200",
    "results": [
        {
            "id": "mp-1178318",
            "created_at": "2022-09-04T14:43:33.492466Z",
            "structure_string": "Fe12 O8 F8\n1.0\n8.594873 0.006465 -0.004716\n0.004867 6.399060 0.007917\n-0.003569 0.008107 6.444748\nFe O F\n12 8 8\ndirect\n0.180939 0.250073 0.499389 Fe\n0.180853 0.249971 0.000425 Fe\n0.220572 0.750226 0.749886 Fe\n0.230406 0.750122 0.249934 Fe\n0.500083 0.999943 0.499809 Fe\n0.500302 0.500159 0.499723 Fe\n0.500558 0.999864 0.000425 Fe\n0.499690 0.500150 0.000192 Fe\n0.778989 0.249913 0.250043 Fe\n0.778898 0.249924 0.750104 Fe\n0.819275 0.748703 0.001646 Fe\n0.819371 0.751040 0.498260 Fe\n0.269794 0.532004 0.998441 O\n0.270107 0.966250 0.003058 O\n0.270571 0.968249 0.502499 O\n0.269697 0.534088 0.496041 O\n0.728838 0.033743 0.501515 O\n0.729211 0.032325 0.001096 O\n0.729224 0.467681 0.499473 O\n0.728590 0.466186 0.997988 O\n0.018265 0.255751 0.249946 F\n0.018983 0.244367 0.749852 F\n0.487148 0.250164 0.750012 F\n0.488235 0.249970 0.250024 F\n0.513741 0.749868 0.250024 F\n0.507917 0.750068 0.749993 F\n0.978114 0.755933 0.249941 F\n0.981628 0.743265 0.750266 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.451108046596112,
            "density_atomic": 0.07899461769185974,
            "volume": 354.45452890501616,
            "volume_molar": 7.623482378876771,
            "formula_full": "Fe12 O8 F8",
            "formula_reduced": "Fe3(OF)2",
            "formula_anonymous": "A2B2C3",
            "energy": -208.89285947,
            "energy_per_atom": -7.460459266785714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.62885947,
            "band_gap": 1.0429,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 47.9994057,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.633000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1076484",
            "created_at": "2022-09-04T14:43:34.305116Z",
            "structure_string": "K3 Na5 V2 Mo6 O24\n1.0\n7.858175 0.000000 0.000000\n0.000000 7.897578 0.000000\n0.000000 0.007765 7.905974\nK Na V Mo O\n3 5 2 6 24\ndirect\n0.000000 0.256080 0.256287 K\n0.500000 0.254449 0.745709 K\n0.500000 0.256362 0.256421 K\n0.000000 0.260483 0.739469 Na\n0.000000 0.738984 0.738235 Na\n0.000000 0.740334 0.260920 Na\n0.500000 0.739178 0.737983 Na\n0.500000 0.740075 0.261147 Na\n0.249243 0.503585 0.501237 V\n0.750757 0.503585 0.501237 V\n0.249295 0.998644 0.999611 Mo\n0.249245 0.503401 0.999244 Mo\n0.249217 0.997627 0.501011 Mo\n0.750705 0.998644 0.999611 Mo\n0.750755 0.503401 0.999244 Mo\n0.750783 0.997627 0.501011 Mo\n0.000000 0.997493 0.998861 O\n0.000000 0.503584 0.998293 O\n0.000000 0.994210 0.501737 O\n0.000000 0.504832 0.503512 O\n0.500000 0.997128 0.999194 O\n0.500000 0.505065 0.998240 O\n0.500000 0.994141 0.500916 O\n0.500000 0.507853 0.500771 O\n0.248187 0.994017 0.752987 O\n0.247170 0.504429 0.758228 O\n0.249472 0.996615 0.247171 O\n0.249049 0.508371 0.240527 O\n0.751813 0.994017 0.752987 O\n0.752830 0.504429 0.758228 O\n0.750528 0.996615 0.247171 O\n0.750951 0.508371 0.240527 O\n0.247984 0.246125 0.999764 O\n0.249257 0.754858 0.996886 O\n0.246747 0.240785 0.504127 O\n0.248727 0.756418 0.500360 O\n0.752016 0.246125 0.999764 O\n0.750743 0.754858 0.996886 O\n0.753253 0.240785 0.504127 O\n0.751273 0.756418 0.500360 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "V",
                "Mo",
                "O"
            ],
            "chemical_system": "K-Mo-Na-O-V",
            "density": 4.378539238716941,
            "density_atomic": 0.0815246587222698,
            "volume": 490.6490947268859,
            "volume_molar": 7.386894780529702,
            "formula_full": "K3 Na5 V2 Mo6 O24",
            "formula_reduced": "K3Na5V2(MoO4)6",
            "formula_anonymous": "A2B3C5D6E24",
            "energy": -296.37252489,
            "energy_per_atom": -7.40931312225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -257.27252489,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0754421,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.079000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-759606",
            "created_at": "2022-09-04T14:43:34.404035Z",
            "structure_string": "Fe12 O12 F12\n1.0\n9.490343 0.000544 0.000000\n0.000110 14.098703 0.000000\n0.000000 0.000000 3.096428\nFe O F\n12 12 12\ndirect\n0.010748 0.995041 0.000000 Fe\n0.024124 0.325390 0.000000 Fe\n0.995478 0.670419 0.000000 Fe\n0.267481 0.178460 0.500000 Fe\n0.217680 0.504811 0.500000 Fe\n0.217303 0.827264 0.500000 Fe\n0.508387 0.328992 0.000000 Fe\n0.524585 0.986512 0.000000 Fe\n0.504230 0.671921 0.000000 Fe\n0.726093 0.164035 0.500000 Fe\n0.776171 0.511635 0.500000 Fe\n0.745432 0.818337 0.500000 Fe\n0.100889 0.264298 0.500000 O\n0.085174 0.609064 0.500000 O\n0.095293 0.939219 0.500000 O\n0.138639 0.764837 0.000000 O\n0.145129 0.439790 0.000000 O\n0.354584 0.233763 0.000000 O\n0.601799 0.274970 0.500000 O\n0.603706 0.924383 0.500000 O\n0.650106 0.099085 0.000000 O\n0.655554 0.761207 0.000000 O\n0.855055 0.572867 0.000000 O\n0.900141 0.731443 0.500000 O\n0.156308 0.102159 0.000000 F\n0.345784 0.572931 0.000000 F\n0.345096 0.893595 0.000000 F\n0.400872 0.059400 0.500000 F\n0.403391 0.407089 0.500000 F\n0.394107 0.733960 0.500000 F\n0.592345 0.594168 0.500000 F\n0.659238 0.441835 0.000000 F\n0.849326 0.232658 0.000000 F\n0.847961 0.899864 0.000000 F\n0.903232 0.069934 0.500000 F\n0.898555 0.394663 0.500000 F\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.369168701556645,
            "density_atomic": 0.08689213016508938,
            "volume": 414.3067954670043,
            "volume_molar": 6.930594000352306,
            "formula_full": "Fe12 O12 F12",
            "formula_reduced": "FeOF",
            "formula_anonymous": "ABC",
            "energy": -256.11242102,
            "energy_per_atom": -7.114233917222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -215.25242102,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 58.8936293,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.333000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1233084",
            "created_at": "2022-09-04T14:43:35.718602Z",
            "structure_string": "Ba4 Yb8 Mg1 Co4 O20\n1.0\n5.670975 0.002339 -0.010406\n0.003192 7.230165 -0.078450\n-0.022802 -0.137239 12.371606\nBa Yb Mg Co O\n4 8 1 4 20\ndirect\n0.248856 0.920745 0.895155 Ba\n0.749103 0.078665 0.105853 Ba\n0.751324 0.315868 0.602655 Ba\n0.252342 0.568122 0.386509 Ba\n0.252236 0.088382 0.564444 Yb\n0.751390 0.930286 0.391958 Yb\n0.748704 0.603381 0.926103 Yb\n0.249428 0.399857 0.075906 Yb\n0.249061 0.383729 0.801737 Yb\n0.750381 0.618811 0.201584 Yb\n0.748544 0.879849 0.723923 Yb\n0.250059 0.127117 0.289825 Yb\n0.753847 0.683790 0.540821 Mg\n0.249948 0.672235 0.655332 Co\n0.751625 0.307282 0.337773 Co\n0.749387 0.194780 0.856420 Co\n0.249791 0.812447 0.149506 Co\n0.250496 0.437391 0.598254 O\n0.751351 0.575478 0.401906 O\n0.749563 0.952929 0.906486 O\n0.249187 0.053067 0.099373 O\n0.018165 0.853297 0.259766 O\n0.514412 0.148860 0.746152 O\n0.985070 0.354270 0.230663 O\n0.487567 0.651989 0.772373 O\n0.984051 0.148034 0.747155 O\n0.482224 0.853620 0.259934 O\n0.005163 0.647739 0.769458 O\n0.512492 0.356323 0.231471 O\n0.474994 0.682332 0.066743 O\n0.975185 0.324169 0.937830 O\n0.517688 0.185368 0.426795 O\n0.012844 0.839362 0.568605 O\n0.984181 0.184852 0.426423 O\n0.491443 0.836845 0.567936 O\n0.024074 0.680802 0.066995 O\n0.523824 0.323852 0.937956 O\n",
            "nsites": 37,
            "nelements": 5,
            "elements": [
                "Ba",
                "Yb",
                "Mg",
                "Co",
                "O"
            ],
            "chemical_system": "Ba-Co-Mg-O-Yb",
            "density": 8.229555006441267,
            "density_atomic": 0.07294970154357985,
            "volume": 507.198785150565,
            "volume_molar": 8.255195885074865,
            "formula_full": "Ba4 Yb8 Mg1 Co4 O20",
            "formula_reduced": "Ba4Yb8Mg(CoO5)4",
            "formula_anonymous": "AB4C4D8E20",
            "energy": -248.17487806,
            "energy_per_atom": -6.7074291367567564,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -227.88287806,
            "band_gap": 0.4569000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.994000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-777585",
            "created_at": "2022-09-04T14:43:36.235523Z",
            "structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n0.050399 5.243051 -0.000167\n-9.030744 -0.044388 6.645018\n9.031045 0.043956 6.645412\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.236916 0.913748 0.836313 Na\n0.236919 0.413687 0.336245 Na\n0.243199 0.879201 0.125942 Na\n0.243500 0.379196 0.625962 Na\n0.243298 0.124041 0.370783 Na\n0.243590 0.624021 0.870800 Na\n0.751513 0.876556 0.626615 Na\n0.751573 0.376557 0.126585 Na\n0.751562 0.123411 0.873448 Na\n0.751511 0.623384 0.373446 Na\n0.780235 0.197057 0.553036 Fe\n0.780167 0.697005 0.052988 Fe\n0.215711 0.301425 0.948568 Fe\n0.215152 0.801444 0.448564 Fe\n0.715671 0.913590 0.336439 P\n0.715791 0.413558 0.836464 P\n0.297345 0.083505 0.666465 P\n0.297343 0.583514 0.166482 P\n0.726438 0.343087 0.406914 C\n0.726436 0.843090 0.906918 C\n0.265657 0.662619 0.587379 C\n0.266337 0.162639 0.087359 C\n0.294768 0.093631 0.156368 O\n0.294666 0.593630 0.656367 O\n0.949186 0.311917 0.438069 O\n0.949177 0.811913 0.938065 O\n0.522126 0.301285 0.448707 O\n0.522124 0.801274 0.948699 O\n0.172979 0.160092 0.589880 O\n0.172972 0.660102 0.089891 O\n0.419639 0.894502 0.355489 O\n0.419723 0.394502 0.855491 O\n0.593043 0.090215 0.659769 O\n0.593045 0.590283 0.159825 O\n0.856210 0.837330 0.412651 O\n0.856706 0.337404 0.912592 O\n0.458944 0.711185 0.538813 O\n0.460024 0.211198 0.038802 O\n0.042435 0.694860 0.555138 O\n0.043097 0.194875 0.055124 O\n0.708080 0.914425 0.835579 O\n0.708073 0.414424 0.335573 O\n0.783269 0.863270 0.197251 O\n0.783212 0.363206 0.697245 O\n0.783386 0.052777 0.386761 O\n0.783242 0.552773 0.886774 O\n0.210851 0.942329 0.619994 O\n0.211203 0.442315 0.119940 O\n0.211202 0.130059 0.807670 O\n0.210903 0.629980 0.307667 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Fe",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Fe-Na-O-P",
            "density": 2.832016562047296,
            "density_atomic": 0.0794578009124415,
            "volume": 629.2648352437727,
            "volume_molar": 7.579042826312416,
            "formula_full": "Na10 Fe4 P4 C4 O28",
            "formula_reduced": "Na5Fe2P2(CO7)2",
            "formula_anonymous": "A2B2C2D5E14",
            "energy": -357.44556117,
            "energy_per_atom": -7.148911223400001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -329.18556117,
            "band_gap": 0.8151000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9994424,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.016000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1218559",
            "created_at": "2022-09-04T14:43:36.755417Z",
            "structure_string": "Sr3 La1 Mn4 O10\n1.0\n3.974570 0.000000 0.000000\n0.000000 5.624422 0.000000\n0.000000 0.022252 10.848793\nSr La Mn O\n3 1 4 10\ndirect\n0.500000 0.788290 0.860914 Sr\n0.500000 0.712025 0.371110 Sr\n0.500000 0.289011 0.632541 Sr\n0.500000 0.199758 0.134480 La\n0.000000 0.235027 0.377673 Mn\n0.000000 0.765716 0.622612 Mn\n0.000000 0.730702 0.120533 Mn\n0.000000 0.268323 0.879404 Mn\n0.000000 0.946820 0.275396 O\n0.000000 0.047536 0.727924 O\n0.000000 0.425933 0.208487 O\n0.000000 0.547910 0.777116 O\n0.000000 0.502820 0.497843 O\n0.000000 0.018271 0.009950 O\n0.500000 0.214616 0.386511 O\n0.500000 0.795993 0.604022 O\n0.500000 0.714204 0.104885 O\n0.500000 0.297045 0.908600 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Sr",
                "La",
                "Mn",
                "O"
            ],
            "chemical_system": "La-Mn-O-Sr",
            "density": 5.351001622694321,
            "density_atomic": 0.0742203561290244,
            "volume": 242.52106751830812,
            "volume_molar": 8.113866699226195,
            "formula_full": "Sr3 La1 Mn4 O10",
            "formula_reduced": "Sr3LaMn4O10",
            "formula_anonymous": "AB3C4D10",
            "energy": -144.4157989,
            "energy_per_atom": -8.023099938888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.8737989,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.006241,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.379000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1236147",
            "created_at": "2022-09-04T14:43:38.670705Z",
            "structure_string": "K2 Li1 S2 O4 F2\n1.0\n4.776574 0.000000 -1.572143\n0.000000 5.566503 0.000000\n0.050183 0.000000 8.100822\nK Li S O F\n2 1 2 4 2\ndirect\n0.224698 0.250000 0.336817 K\n0.811580 0.750000 0.742380 K\n0.615930 0.250000 0.076252 Li\n0.267664 0.250000 0.762020 S\n0.695320 0.750000 0.156742 S\n0.321744 0.477372 0.672226 O\n0.625196 0.971053 0.238105 O\n0.625196 0.528947 0.238105 O\n0.321744 0.022628 0.672226 O\n0.054272 0.750000 0.248384 F\n0.922767 0.250000 0.014150 F\n",
            "nsites": 11,
            "nelements": 5,
            "elements": [
                "K",
                "Li",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "F-K-Li-O-S",
            "density": 1.933139867775645,
            "density_atomic": 0.05096594037302651,
            "volume": 215.8304137918291,
            "volume_molar": 11.816010292213093,
            "formula_full": "K2 Li1 S2 O4 F2",
            "formula_reduced": "K2LiS2(O2F)2",
            "formula_anonymous": "AB2C2D2E4",
            "energy": -58.83323203,
            "energy_per_atom": -5.348475639090909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -55.16123203,
            "band_gap": 0.8435,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9988207,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:15.379000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-759331",
            "created_at": "2022-09-04T14:43:39.569196Z",
            "structure_string": "Fe18 O18 F18\n1.0\n3.097455 0.000000 0.000000\n0.000000 14.141305 0.000000\n0.000000 0.047465 14.247216\nFe O F\n18 18 18\ndirect\n0.000000 0.986744 0.996506 Fe\n0.000000 0.982082 0.337450 Fe\n0.000000 0.993038 0.663798 Fe\n0.500000 0.846365 0.164980 Fe\n0.500000 0.847228 0.502506 Fe\n0.500000 0.826322 0.850289 Fe\n0.000000 0.657871 0.994063 Fe\n0.000000 0.659118 0.335404 Fe\n0.000000 0.656907 0.663768 Fe\n0.500000 0.513292 0.499079 Fe\n0.500000 0.521482 0.167099 Fe\n0.500000 0.514561 0.830315 Fe\n0.000000 0.327334 0.003856 Fe\n0.000000 0.323238 0.328508 Fe\n0.000000 0.319886 0.665707 Fe\n0.500000 0.177683 0.164830 Fe\n0.500000 0.181152 0.495625 Fe\n0.500000 0.159016 0.811631 Fe\n0.500000 0.934990 0.271018 O\n0.500000 0.931812 0.600822 O\n0.500000 0.938515 0.932035 O\n0.000000 0.898875 0.102231 O\n0.000000 0.897938 0.442811 O\n0.000000 0.764736 0.903368 O\n0.500000 0.606914 0.272360 O\n0.500000 0.602822 0.602487 O\n0.500000 0.595519 0.937943 O\n0.000000 0.565155 0.101568 O\n0.000000 0.565354 0.436002 O\n0.000000 0.564906 0.767796 O\n0.500000 0.270510 0.264239 O\n0.500000 0.268699 0.602162 O\n0.000000 0.233088 0.097013 O\n0.000000 0.234482 0.432590 O\n0.000000 0.232392 0.772202 O\n0.500000 0.056675 0.727925 O\n0.000000 0.890538 0.769716 F\n0.000000 0.768915 0.234312 F\n0.000000 0.770743 0.568476 F\n0.500000 0.731541 0.071372 F\n0.500000 0.733616 0.731255 F\n0.500000 0.737619 0.402620 F\n0.000000 0.435489 0.230515 F\n0.000000 0.434065 0.565901 F\n0.000000 0.426998 0.901505 F\n0.500000 0.397710 0.062469 F\n0.500000 0.400444 0.396508 F\n0.500000 0.398871 0.734179 F\n0.500000 0.270312 0.935681 F\n0.000000 0.104085 0.228444 F\n0.000000 0.102165 0.559554 F\n0.000000 0.104577 0.901998 F\n0.500000 0.068197 0.066410 F\n0.500000 0.067411 0.397105 F\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.350985401462892,
            "density_atomic": 0.08653050858750773,
            "volume": 624.0573513489772,
            "volume_molar": 6.959557800252439,
            "formula_full": "Fe18 O18 F18",
            "formula_reduced": "FeOF",
            "formula_anonymous": "ABC",
            "energy": -385.88875452,
            "energy_per_atom": -7.146088046666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -324.59875452,
            "band_gap": 0.2892000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 90.0018038,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.585000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1234967",
            "created_at": "2022-09-04T14:43:39.678391Z",
            "structure_string": "Ba4 Mg1 Tl8 O16\n1.0\n10.598757 0.046985 0.000000\n0.047422 12.550700 0.000000\n0.000000 0.000000 3.582066\nBa Mg Tl O\n4 1 8 16\ndirect\n0.243510 0.327565 0.750000 Ba\n0.255197 0.860680 0.250000 Ba\n0.751214 0.167733 0.750000 Ba\n0.751354 0.642696 0.250000 Ba\n0.486040 0.707875 0.750000 Mg\n0.066154 0.616011 0.750000 Tl\n0.069148 0.103360 0.750000 Tl\n0.338183 0.567938 0.250000 Tl\n0.429147 0.111557 0.250000 Tl\n0.599919 0.918486 0.750000 Tl\n0.570836 0.396585 0.750000 Tl\n0.923550 0.892349 0.250000 Tl\n0.924802 0.393751 0.250000 Tl\n0.015279 0.720280 0.250000 O\n0.074915 0.924377 0.750000 O\n0.131317 0.490447 0.250000 O\n0.211081 0.153635 0.250000 O\n0.296040 0.693544 0.750000 O\n0.400323 0.976713 0.750000 O\n0.421350 0.399861 0.250000 O\n0.482066 0.215130 0.750000 O\n0.525985 0.777290 0.250000 O\n0.584662 0.575101 0.750000 O\n0.632500 0.034502 0.250000 O\n0.709771 0.344179 0.250000 O\n0.787218 0.837673 0.750000 O\n0.886112 0.516899 0.750000 O\n0.922405 0.074655 0.250000 O\n0.984925 0.283084 0.750000 O\n",
            "nsites": 29,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "Tl",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-Tl",
            "density": 8.589317336529804,
            "density_atomic": 0.06086236231207197,
            "volume": 476.4849555346275,
            "volume_molar": 9.894687835351268,
            "formula_full": "Ba4 Mg1 Tl8 O16",
            "formula_reduced": "Ba4MgTl8O16",
            "formula_anonymous": "AB4C8D16",
            "energy": -156.34150534,
            "energy_per_atom": -5.391086391034483,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.34950534,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.255000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1178080",
            "created_at": "2022-09-04T14:43:39.984157Z",
            "structure_string": "Li12 Mn3 Ni1 P4 C4 O28\n1.0\n6.581806 0.000000 0.000000\n0.000000 8.515234 0.000000\n0.000000 0.781857 9.960436\nLi Mn Ni P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.907765 0.619438 Li\n0.000000 0.903972 0.118860 Li\n0.224165 0.726933 0.876896 Li\n0.775835 0.726933 0.876896 Li\n0.224171 0.725637 0.376250 Li\n0.775829 0.725637 0.376250 Li\n0.724742 0.272901 0.621881 Li\n0.275258 0.272901 0.621881 Li\n0.725138 0.273752 0.124619 Li\n0.274862 0.273752 0.124619 Li\n0.500000 0.093393 0.880376 Li\n0.500000 0.093015 0.379884 Li\n0.500000 0.659704 0.611228 Mn\n0.500000 0.659508 0.111572 Mn\n0.000000 0.339819 0.888868 Mn\n0.000000 0.333164 0.396574 Ni\n0.000000 0.590107 0.636275 P\n0.000000 0.586377 0.141863 P\n0.500000 0.409093 0.860552 P\n0.500000 0.409678 0.359914 P\n0.500000 0.967359 0.648700 C\n0.500000 0.967163 0.148719 C\n0.000000 0.032695 0.851621 C\n0.000000 0.039386 0.351577 C\n0.500000 0.930024 0.525780 O\n0.000000 0.886207 0.821967 O\n0.500000 0.929476 0.025814 O\n0.500000 0.855790 0.746155 O\n0.000000 0.893354 0.321576 O\n0.500000 0.855805 0.246282 O\n0.184015 0.691026 0.583687 O\n0.815985 0.691026 0.583687 O\n0.183213 0.689084 0.088869 O\n0.816787 0.689084 0.088869 O\n0.500000 0.579696 0.905309 O\n0.000000 0.574795 0.793324 O\n0.500000 0.580117 0.404861 O\n0.000000 0.566500 0.299304 O\n0.500000 0.422617 0.703350 O\n0.000000 0.420676 0.588630 O\n0.500000 0.422570 0.202859 O\n0.000000 0.419677 0.091172 O\n0.316085 0.309494 0.914789 O\n0.683915 0.309494 0.914789 O\n0.686446 0.310969 0.413690 O\n0.313554 0.310969 0.413690 O\n0.000000 0.143945 0.754071 O\n0.500000 0.113390 0.678011 O\n0.000000 0.153733 0.256890 O\n0.000000 0.069486 0.974475 O\n0.500000 0.113188 0.177944 O\n0.000000 0.077163 0.474842 O\n",
            "nsites": 52,
            "nelements": 6,
            "elements": [
                "Li",
                "Mn",
                "Ni",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-Mn-Ni-O-P",
            "density": 2.7566262858291206,
            "density_atomic": 0.0931501010083018,
            "volume": 558.2387934862852,
            "volume_molar": 6.464985753974962,
            "formula_full": "Li12 Mn3 Ni1 P4 C4 O28",
            "formula_reduced": "Li12Mn3NiP4(CO7)4",
            "formula_anonymous": "AB3C4D4E12F28",
            "energy": -377.42637085,
            "energy_per_atom": -7.258199439423077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -350.64537085,
            "band_gap": 2.8660000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.9785996,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.968000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1219702",
            "created_at": "2022-09-04T14:43:40.037188Z",
            "structure_string": "Rb2 U2 O7\n1.0\n4.056941 0.000000 0.000000\n0.000000 7.023855 0.000000\n0.000000 2.326416 7.140233\nRb U O\n2 2 7\ndirect\n0.000000 0.500828 0.503674 Rb\n0.500000 0.000404 0.499495 Rb\n0.000000 0.980968 0.001360 U\n0.500000 0.511990 0.011017 U\n0.500000 0.583662 0.744519 O\n0.000000 0.090110 0.740514 O\n0.500000 0.421543 0.278121 O\n0.000000 0.899352 0.262348 O\n0.500000 0.847985 0.978604 O\n0.000000 0.612909 0.023532 O\n0.500000 0.195250 0.021816 O\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "Rb",
                "U",
                "O"
            ],
            "chemical_system": "O-Rb-U",
            "density": 6.1943835355339045,
            "density_atomic": 0.05406373827527247,
            "volume": 203.46354785886405,
            "volume_molar": 11.138964770318873,
            "formula_full": "Rb2 U2 O7",
            "formula_reduced": "Rb2U2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -94.82858208,
            "energy_per_atom": -8.62078018909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.01958208,
            "band_gap": 1.5077,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.64e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:23.852000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1235345",
            "created_at": "2022-09-04T14:43:40.846566Z",
            "structure_string": "K4 Li1 Mn4 O8\n1.0\n3.018955 -0.000062 0.005045\n0.000038 6.448681 -0.040008\n-0.005697 -0.060816 13.841291\nK Li Mn O\n4 1 4 8\ndirect\n0.249308 0.410634 0.154977 K\n0.249570 0.047112 0.680662 K\n0.751313 0.563757 0.842076 K\n0.750352 0.933462 0.323923 K\n0.249628 0.199563 0.488345 Li\n0.249847 0.911643 0.092601 Mn\n0.750918 0.059728 0.913903 Mn\n0.750258 0.462980 0.397408 Mn\n0.248991 0.565686 0.588557 Mn\n0.749523 0.748265 0.143487 O\n0.251272 0.222731 0.862864 O\n0.250585 0.276390 0.352400 O\n0.748608 0.710046 0.657100 O\n0.749946 0.110783 0.071956 O\n0.250800 0.861430 0.935950 O\n0.749281 0.319437 0.546255 O\n0.250016 0.658850 0.427129 O\n",
            "nsites": 17,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Mn",
                "O"
            ],
            "chemical_system": "K-Li-Mn-O",
            "density": 3.1495371350015087,
            "density_atomic": 0.06308939002663201,
            "volume": 269.458937435023,
            "volume_molar": 9.545409707492599,
            "formula_full": "K4 Li1 Mn4 O8",
            "formula_reduced": "K4LiMn4O8",
            "formula_anonymous": "AB4C4D8",
            "energy": -113.62755401,
            "energy_per_atom": -6.683973765294118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -101.45955401,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.9856167,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.526000Z",
            "spacegroup": 6
        }
    ]
}