GET /third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=2
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=3",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous",
    "results": [
        {
            "id": "mp-684861",
            "created_at": "2022-09-04T14:46:09.099779Z",
            "structure_string": "Na4 Yb4 Ti4 Nb4 O24 F4\n1.0\n7.329455 0.000000 0.000000\n0.000000 7.329455 0.000000\n0.000000 0.000000 10.391084\nNa Yb Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.747328 0.500000 Na\n0.500000 0.252672 0.000000 Na\n0.747328 0.500000 0.250000 Na\n0.252672 0.500000 0.750000 Na\n0.000000 0.744239 0.500000 Yb\n0.000000 0.255761 0.000000 Yb\n0.255761 0.000000 0.750000 Yb\n0.744239 0.000000 0.250000 Yb\n0.000000 0.758423 0.000000 Ti\n0.241577 0.000000 0.250000 Ti\n0.758423 0.000000 0.750000 Ti\n0.000000 0.241577 0.500000 Ti\n0.500000 0.241506 0.500000 Nb\n0.500000 0.758494 0.000000 Nb\n0.758494 0.500000 0.750000 Nb\n0.241506 0.500000 0.250000 Nb\n0.554626 0.946685 0.868736 O\n0.765746 0.753410 0.678490 O\n0.950583 0.950583 0.875000 O\n0.053315 0.445374 0.381264 O\n0.049417 0.049417 0.375000 O\n0.049417 0.950583 0.125000 O\n0.246590 0.234254 0.571510 O\n0.246590 0.765746 0.928490 O\n0.234254 0.246590 0.178490 O\n0.445374 0.946685 0.131264 O\n0.445374 0.053315 0.368736 O\n0.441604 0.441604 0.375000 O\n0.558396 0.558396 0.875000 O\n0.554626 0.053315 0.631264 O\n0.558396 0.441604 0.625000 O\n0.753410 0.765746 0.071510 O\n0.765746 0.246590 0.821510 O\n0.753410 0.234254 0.428490 O\n0.950583 0.049417 0.625000 O\n0.946685 0.445374 0.618736 O\n0.946685 0.554626 0.881264 O\n0.053315 0.554626 0.118736 O\n0.234254 0.753410 0.321510 O\n0.441604 0.558396 0.125000 O\n0.242809 0.757191 0.625000 F\n0.757191 0.242809 0.125000 F\n0.757191 0.757191 0.375000 F\n0.242809 0.242809 0.875000 F\n",
            "nsites": 44,
            "nelements": 6,
            "elements": [
                "Na",
                "Yb",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Na-Nb-O-Ti-Yb",
            "density": 5.375874555217658,
            "density_atomic": 0.07882218240346836,
            "volume": 558.218494570177,
            "volume_molar": 7.640159884402049,
            "formula_full": "Na4 Yb4 Ti4 Nb4 O24 F4",
            "formula_reduced": "NaYbTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -348.98424639,
            "energy_per_atom": -7.931460145227273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -330.64824639,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.9753906,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.999000Z",
            "spacegroup": 91
        },
        {
            "id": "mp-43055",
            "created_at": "2022-09-04T14:39:41.537290Z",
            "structure_string": "Na4 Ce4 Ti4 Nb4 O24 F4\n1.0\n7.379554 0.000000 0.000000\n0.000000 7.379554 0.000000\n0.000000 0.000000 10.484387\nNa Ce Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.727655 0.000000 Na\n0.500000 0.272345 0.500000 Na\n0.727655 0.500000 0.750000 Na\n0.272345 0.500000 0.250000 Na\n0.000000 0.728457 0.000000 Ce\n0.271543 0.000000 0.250000 Ce\n0.000000 0.271543 0.500000 Ce\n0.728457 0.000000 0.750000 Ce\n0.000000 0.763609 0.500000 Ti\n0.236391 0.000000 0.750000 Ti\n0.763609 0.000000 0.250000 Ti\n0.000000 0.236391 0.000000 Ti\n0.500000 0.757568 0.500000 Nb\n0.500000 0.242432 0.000000 Nb\n0.757568 0.500000 0.250000 Nb\n0.242432 0.500000 0.750000 Nb\n0.555561 0.948833 0.367535 O\n0.958875 0.958875 0.375000 O\n0.051167 0.444439 0.882465 O\n0.041125 0.041125 0.875000 O\n0.041125 0.958875 0.625000 O\n0.248531 0.226387 0.072146 O\n0.248531 0.773613 0.427854 O\n0.226387 0.248531 0.677854 O\n0.444439 0.948833 0.632465 O\n0.436771 0.436771 0.875000 O\n0.444439 0.051167 0.867535 O\n0.563229 0.563229 0.375000 O\n0.563229 0.436771 0.125000 O\n0.555561 0.051167 0.132465 O\n0.751469 0.773613 0.572146 O\n0.751469 0.226387 0.927854 O\n0.773613 0.248531 0.322146 O\n0.773613 0.751469 0.177854 O\n0.948833 0.444439 0.117535 O\n0.958875 0.041125 0.125000 O\n0.948833 0.555561 0.382465 O\n0.051167 0.555561 0.617535 O\n0.226387 0.751469 0.822146 O\n0.436771 0.563229 0.625000 O\n0.261856 0.738144 0.125000 F\n0.738144 0.261856 0.625000 F\n0.738144 0.738144 0.875000 F\n0.261856 0.261856 0.375000 F\n",
            "nsites": 44,
            "nelements": 6,
            "elements": [
                "Na",
                "Ce",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "Ce-F-Na-Nb-O-Ti",
            "density": 4.872918750962745,
            "density_atomic": 0.07706361952900777,
            "volume": 570.9568311080667,
            "volume_molar": 7.814505465491647,
            "formula_full": "Na4 Ce4 Ti4 Nb4 O24 F4",
            "formula_reduced": "NaCeTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -375.1982143100001,
            "energy_per_atom": -8.527232143409092,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -356.86221431,
            "band_gap": 0.0346000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9999649,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:44.641000Z",
            "spacegroup": 91
        },
        {
            "id": "mp-1219608",
            "created_at": "2022-09-04T14:44:57.788593Z",
            "structure_string": "Rb1 La1 Ti1 Nb1 O6 F1\n1.0\n3.872434 0.000000 0.000000\n0.000000 3.915958 0.000000\n0.000000 0.000000 11.289405\nRb La Ti Nb O F\n1 1 1 1 6 1\ndirect\n0.500000 0.500000 0.502072 Rb\n0.500000 0.500000 0.000254 La\n0.000000 0.000000 0.794030 Ti\n0.000000 0.000000 0.205124 Nb\n0.000000 0.000000 0.643127 O\n0.000000 0.000000 0.365400 O\n0.500000 0.000000 0.834063 O\n0.500000 0.000000 0.164655 O\n0.000000 0.500000 0.163319 O\n0.000000 0.000000 0.997676 O\n0.000000 0.500000 0.830279 F\n",
            "nsites": 11,
            "nelements": 6,
            "elements": [
                "Rb",
                "La",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-La-Nb-O-Rb-Ti",
            "density": 4.657203304210191,
            "density_atomic": 0.06425391316564914,
            "volume": 171.19579894910933,
            "volume_molar": 9.372410898110877,
            "formula_full": "Rb1 La1 Ti1 Nb1 O6 F1",
            "formula_reduced": "RbLaTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -91.85064906000002,
            "energy_per_atom": -8.350059005454547,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.26664906,
            "band_gap": 1.0761000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.9e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:40.394000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-1220722",
            "created_at": "2022-09-04T14:47:54.968754Z",
            "structure_string": "Na2 Yb2 Ti2 Nb2 O12 F2\n1.0\n-3.593720 3.755330 5.178886\n3.593720 -3.755330 5.178886\n3.593720 3.755330 -5.178886\nNa Yb Ti Nb O F\n2 2 2 2 12 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.926378 0.176378 0.750000 O\n0.319419 0.569419 0.750000 O\n0.937677 0.579972 0.764514 O\n0.315458 0.173163 0.735486 O\n0.937677 0.173163 0.357705 O\n0.315458 0.579972 0.142295 O\n0.073622 0.823622 0.250000 O\n0.680581 0.430581 0.250000 O\n0.062323 0.420028 0.235486 O\n0.684542 0.826837 0.264514 O\n0.062323 0.826837 0.642295 O\n0.684542 0.420028 0.857705 O\n0.633754 0.883754 0.750000 F\n0.366246 0.116246 0.250000 F\n",
            "nsites": 22,
            "nelements": 6,
            "elements": [
                "Na",
                "Yb",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Na-Nb-O-Ti-Yb",
            "density": 5.36703794381446,
            "density_atomic": 0.07869261818304298,
            "volume": 279.568789398097,
            "volume_molar": 7.652739099355164,
            "formula_full": "Na2 Yb2 Ti2 Nb2 O12 F2",
            "formula_reduced": "NaYbTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -174.4759493,
            "energy_per_atom": -7.930724968181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -165.3079493,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0011035,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.877000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1221114",
            "created_at": "2022-09-04T14:39:36.914918Z",
            "structure_string": "Na2 Ce2 Ti2 Nb2 O12 F2\n1.0\n-3.625022 3.805975 5.183926\n3.625022 -3.805975 5.183926\n3.625022 3.805975 -5.183926\nNa Ce Ti Nb O F\n2 2 2 2 12 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.921619 0.171619 0.750000 O\n0.315965 0.565965 0.750000 O\n0.936853 0.583675 0.765743 O\n0.317932 0.171110 0.734257 O\n0.936853 0.171110 0.353178 O\n0.317932 0.583675 0.146822 O\n0.078381 0.828381 0.250000 O\n0.684035 0.434035 0.250000 O\n0.063147 0.416325 0.234257 O\n0.682068 0.828890 0.265743 O\n0.063147 0.828890 0.646822 O\n0.682068 0.416325 0.853178 O\n0.620345 0.870345 0.750000 F\n0.379655 0.129655 0.250000 F\n",
            "nsites": 22,
            "nelements": 6,
            "elements": [
                "Na",
                "Ce",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "Ce-F-Na-Nb-O-Ti",
            "density": 4.862583648055481,
            "density_atomic": 0.07690017324990017,
            "volume": 286.08518121938766,
            "volume_molar": 7.83111468478755,
            "formula_full": "Na2 Ce2 Ti2 Nb2 O12 F2",
            "formula_reduced": "NaCeTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -187.5203413,
            "energy_per_atom": -8.523651877272728,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -178.3523413,
            "band_gap": 0.1997999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9996889,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.189000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1220925",
            "created_at": "2022-09-04T14:45:10.713643Z",
            "structure_string": "Na2 Pr2 Ti2 Nb2 O12 F2\n1.0\n-3.626994 3.806139 5.178983\n3.626994 -3.806139 5.178983\n3.626994 3.806139 -5.178983\nNa Pr Ti Nb O F\n2 2 2 2 12 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.422061 0.172061 0.250000 O\n0.815690 0.565690 0.250000 O\n0.437679 0.581437 0.265109 O\n0.816328 0.172571 0.234891 O\n0.437679 0.172571 0.856242 O\n0.816328 0.581437 0.643758 O\n0.577939 0.827939 0.750000 O\n0.184310 0.434310 0.750000 O\n0.562321 0.418563 0.734891 O\n0.183672 0.827429 0.765109 O\n0.562321 0.827429 0.143758 O\n0.183672 0.418563 0.356242 O\n0.119822 0.869822 0.250000 F\n0.880178 0.130178 0.750000 F\n",
            "nsites": 22,
            "nelements": 6,
            "elements": [
                "Na",
                "Pr",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Na-Nb-O-Pr-Ti",
            "density": 4.873562148813891,
            "density_atomic": 0.07692840397072369,
            "volume": 285.98019540834935,
            "volume_molar": 7.828240869642662,
            "formula_full": "Na2 Pr2 Ti2 Nb2 O12 F2",
            "formula_reduced": "NaPrTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -185.36004698,
            "energy_per_atom": -8.425456680909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -176.19204698,
            "band_gap": 2.7726000000000006,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003418,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.586000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-42897",
            "created_at": "2022-09-04T14:42:16.532992Z",
            "structure_string": "Na4 Pr4 Ti4 Nb4 O24 F4\n1.0\n7.392591 0.000000 0.000000\n0.000000 7.392591 0.000000\n0.000000 0.000000 10.501838\nNa Pr Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.274026 0.000000 Na\n0.500000 0.725974 0.500000 Na\n0.725974 0.500000 0.250000 Na\n0.274026 0.500000 0.750000 Na\n0.000000 0.726296 0.500000 Pr\n0.273704 0.000000 0.750000 Pr\n0.000000 0.273704 0.000000 Pr\n0.726296 0.000000 0.250000 Pr\n0.764875 0.000000 0.750000 Ti\n0.000000 0.235125 0.500000 Ti\n0.235125 0.000000 0.250000 Ti\n0.000000 0.764875 0.000000 Ti\n0.243254 0.500000 0.250000 Nb\n0.500000 0.243254 0.500000 Nb\n0.500000 0.756746 0.000000 Nb\n0.756746 0.500000 0.750000 Nb\n0.558129 0.947079 0.867961 O\n0.751464 0.772324 0.070996 O\n0.958200 0.958200 0.875000 O\n0.052921 0.441871 0.382039 O\n0.041800 0.958200 0.125000 O\n0.041800 0.041800 0.375000 O\n0.248536 0.227676 0.570996 O\n0.227676 0.751464 0.320996 O\n0.227676 0.248536 0.179004 O\n0.248536 0.772324 0.929004 O\n0.441871 0.052921 0.367961 O\n0.437845 0.437845 0.375000 O\n0.441871 0.947079 0.132039 O\n0.562155 0.437845 0.625000 O\n0.558129 0.052921 0.632039 O\n0.562155 0.562155 0.875000 O\n0.772324 0.751464 0.679004 O\n0.751464 0.227676 0.429004 O\n0.772324 0.248536 0.820996 O\n0.947079 0.558129 0.882039 O\n0.958200 0.041800 0.625000 O\n0.947079 0.441871 0.617961 O\n0.052921 0.558129 0.117961 O\n0.437845 0.562155 0.125000 O\n0.738982 0.261018 0.125000 F\n0.261018 0.738982 0.625000 F\n0.738982 0.738982 0.375000 F\n0.261018 0.261018 0.875000 F\n",
            "nsites": 44,
            "nelements": 6,
            "elements": [
                "Na",
                "Pr",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Na-Nb-O-Pr-Ti",
            "density": 4.856839923490317,
            "density_atomic": 0.07666444630163059,
            "volume": 573.9296652177628,
            "volume_molar": 7.85519370518419,
            "formula_full": "Na4 Pr4 Ti4 Nb4 O24 F4",
            "formula_reduced": "NaPrTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -370.90433848,
            "energy_per_atom": -8.429644056363635,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -352.56833848,
            "band_gap": 2.811,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.59e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:39.680000Z",
            "spacegroup": 91
        },
        {
            "id": "mp-1219593",
            "created_at": "2022-09-04T14:39:59.121638Z",
            "structure_string": "Rb1 Nd1 Ti1 Nb1 O6 F1\n1.0\n3.852741 0.000000 0.000000\n0.000000 3.852741 0.000000\n0.000000 0.000000 11.351298\nRb Nd Ti Nb O F\n1 1 1 1 6 1\ndirect\n0.500000 0.500000 0.510669 Rb\n0.500000 0.500000 0.975345 Nd\n0.000000 0.000000 0.790618 Ti\n0.000000 0.000000 0.208965 Nb\n0.000000 0.000000 0.640785 O\n0.000000 0.000000 0.367052 O\n0.500000 0.000000 0.844383 O\n0.000000 0.500000 0.844383 O\n0.500000 0.000000 0.158464 O\n0.000000 0.500000 0.158464 O\n0.000000 0.000000 0.000872 F\n",
            "nsites": 11,
            "nelements": 6,
            "elements": [
                "Rb",
                "Nd",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Nb-Nd-O-Rb-Ti",
            "density": 4.784466104929057,
            "density_atomic": 0.06528411645345579,
            "volume": 168.49427697841992,
            "volume_molar": 9.224511392895204,
            "formula_full": "Rb1 Nd1 Ti1 Nb1 O6 F1",
            "formula_reduced": "RbNdTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -92.35610441,
            "energy_per_atom": -8.396009491818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.77210441,
            "band_gap": 1.8523,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011275,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:44.201000Z",
            "spacegroup": 99
        },
        {
            "id": "mp-42981",
            "created_at": "2022-09-04T14:45:24.157337Z",
            "structure_string": "Na4 Gd4 Ti4 Nb4 O24 F4\n1.0\n7.355463 0.000000 0.000000\n0.000000 7.355463 0.000000\n0.000000 0.000000 10.410171\nNa Gd Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.769365 0.000000 0.250000 Na\n0.000000 0.769365 0.000000 Na\n0.000000 0.230635 0.500000 Na\n0.230635 0.000000 0.750000 Na\n0.500000 0.783581 0.000000 Gd\n0.216419 0.500000 0.750000 Gd\n0.500000 0.216419 0.500000 Gd\n0.783581 0.500000 0.250000 Gd\n0.500000 0.267112 0.000000 Ti\n0.500000 0.732888 0.500000 Ti\n0.267112 0.500000 0.250000 Ti\n0.732888 0.500000 0.750000 Ti\n0.740295 0.000000 0.750000 Nb\n0.000000 0.740295 0.500000 Nb\n0.000000 0.259705 0.000000 Nb\n0.259705 0.000000 0.250000 Nb\n0.064192 0.935808 0.375000 O\n0.250969 0.723295 0.574019 O\n0.451891 0.946835 0.382951 O\n0.548109 0.053165 0.882951 O\n0.545060 0.454940 0.875000 O\n0.548109 0.946835 0.617049 O\n0.749031 0.276705 0.074019 O\n0.723295 0.749031 0.824019 O\n0.749031 0.723295 0.425981 O\n0.723295 0.250969 0.675981 O\n0.935808 0.935808 0.625000 O\n0.935808 0.064192 0.875000 O\n0.946835 0.451891 0.867049 O\n0.053165 0.451891 0.132951 O\n0.053165 0.548109 0.367049 O\n0.064192 0.064192 0.125000 O\n0.250969 0.276705 0.925981 O\n0.276705 0.250969 0.324019 O\n0.276705 0.749031 0.175981 O\n0.451891 0.053165 0.117049 O\n0.454940 0.545060 0.375000 O\n0.454940 0.454940 0.125000 O\n0.545060 0.545060 0.625000 O\n0.946835 0.548109 0.632951 O\n0.752746 0.752746 0.125000 F\n0.247254 0.247254 0.625000 F\n0.752746 0.247254 0.375000 F\n0.247254 0.752746 0.875000 F\n",
            "nsites": 44,
            "nelements": 6,
            "elements": [
                "Na",
                "Gd",
                "Ti",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-Gd-Na-Nb-O-Ti",
            "density": 5.141923434970449,
            "density_atomic": 0.07812225715337553,
            "volume": 563.2197737658279,
            "volume_molar": 7.708610810075388,
            "formula_full": "Na4 Gd4 Ti4 Nb4 O24 F4",
            "formula_reduced": "NaGdTiNbO6F",
            "formula_anonymous": "ABCDEF6",
            "energy": -408.19267606000005,
            "energy_per_atom": -9.27710627409091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -389.85667606,
            "band_gap": 2.2615,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 27.9988155,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:00.693000Z",
            "spacegroup": 95
        },
        {
            "id": "mp-560581",
            "created_at": "2022-09-04T14:43:45.342487Z",
            "structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.920411 0.000000 0.000000\n0.000000 10.132170 0.000000\n0.000000 2.313224 12.466353\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.315140 0.853098 0.495860 Li\n0.684860 0.146902 0.504140 Li\n0.815140 0.646902 0.504140 Li\n0.184860 0.353098 0.495860 Li\n0.192631 0.126919 0.368138 Be\n0.692631 0.373081 0.631862 Be\n0.807369 0.873081 0.631862 Be\n0.307369 0.626919 0.368138 Be\n0.756246 0.923820 0.099875 H\n0.935590 0.051767 0.151585 H\n0.243754 0.076180 0.900125 H\n0.385252 0.168334 0.717386 H\n0.572264 0.043761 0.159713 H\n0.956016 0.838841 0.276211 H\n0.778260 0.954703 0.328838 H\n0.900241 0.249485 0.986338 H\n0.427736 0.956239 0.840287 H\n0.885252 0.331666 0.282614 H\n0.456016 0.661159 0.723789 H\n0.278260 0.545297 0.671162 H\n0.736659 0.257578 0.876766 H\n0.256246 0.576180 0.900125 H\n0.543984 0.338841 0.276211 H\n0.564410 0.551767 0.151585 H\n0.263341 0.742422 0.123234 H\n0.927736 0.543761 0.159713 H\n0.114748 0.668334 0.717386 H\n0.599759 0.749485 0.986338 H\n0.743754 0.423820 0.099875 H\n0.435590 0.448233 0.848415 H\n0.236659 0.242422 0.123234 H\n0.043984 0.161159 0.723789 H\n0.221740 0.045297 0.671162 H\n0.721740 0.454703 0.328838 H\n0.064410 0.948233 0.848415 H\n0.400241 0.250515 0.013662 H\n0.763341 0.757578 0.876766 H\n0.099759 0.750515 0.013662 H\n0.614748 0.831666 0.282614 H\n0.072264 0.456239 0.840287 H\n0.759324 0.984961 0.162619 C\n0.240676 0.015039 0.837381 C\n0.740676 0.484961 0.162619 C\n0.259324 0.515039 0.837381 C\n0.721265 0.396156 0.269766 N\n0.278735 0.603844 0.730234 N\n0.778735 0.896156 0.269766 N\n0.221265 0.103844 0.730234 N\n0.714730 0.250222 0.954827 O\n0.285270 0.749778 0.045173 O\n0.785270 0.750222 0.954827 O\n0.214730 0.249778 0.045173 O\n0.693822 0.015482 0.629547 F\n0.743351 0.769974 0.737871 F\n0.256649 0.230026 0.262129 F\n0.683211 0.813002 0.535337 F\n0.756649 0.269974 0.737871 F\n0.624506 0.617941 0.381682 F\n0.183211 0.686998 0.464663 F\n0.875494 0.117941 0.381682 F\n0.306178 0.984518 0.370453 F\n0.375494 0.382059 0.618318 F\n0.124506 0.882059 0.618318 F\n0.243351 0.730026 0.262129 F\n0.316789 0.186998 0.464663 F\n0.806178 0.515482 0.629547 F\n0.816789 0.313002 0.535337 F\n0.193822 0.484518 0.370453 F\n",
            "nsites": 68,
            "nelements": 7,
            "elements": [
                "Li",
                "Be",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "Be-C-F-H-Li-N-O",
            "density": 1.5178787625642614,
            "density_atomic": 0.1094121730725346,
            "volume": 621.5030566564062,
            "volume_molar": 5.504086602875197,
            "formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
            "formula_reduced": "LiBeH8CNOF4",
            "formula_anonymous": "ABCDEF4G8",
            "energy": -361.25025887,
            "energy_per_atom": -5.3125038069117645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -349.66625887,
            "band_gap": 6.277200000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004067,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.191000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1194882",
            "created_at": "2022-09-04T14:47:39.037438Z",
            "structure_string": "Ba4 Mn4 P4 Cl4 O16 F4\n1.0\n8.710321 0.000000 0.000000\n0.000000 7.346113 0.000000\n0.000000 2.725395 8.640758\nBa Mn P Cl O F\n4 4 4 4 16 4\ndirect\n0.768308 0.041972 0.115416 Ba\n0.268308 0.958028 0.384584 Ba\n0.231692 0.958028 0.884584 Ba\n0.731692 0.041972 0.615416 Ba\n0.998592 0.388677 0.774002 Mn\n0.498592 0.611323 0.725998 Mn\n0.001408 0.611323 0.225998 Mn\n0.501408 0.388677 0.274002 Mn\n0.751450 0.552742 0.987909 P\n0.251450 0.447258 0.512091 P\n0.248550 0.447258 0.012091 P\n0.748550 0.552742 0.487909 P\n0.033843 0.767623 0.672463 Cl\n0.533843 0.232377 0.827537 Cl\n0.966157 0.232377 0.327537 Cl\n0.466157 0.767623 0.172463 Cl\n0.651510 0.411172 0.112044 O\n0.151510 0.588828 0.387956 O\n0.348490 0.588828 0.887956 O\n0.848490 0.411172 0.612044 O\n0.853743 0.417022 0.928781 O\n0.353743 0.582978 0.571219 O\n0.146257 0.582978 0.071219 O\n0.646257 0.417022 0.428781 O\n0.655124 0.686871 0.856070 O\n0.155124 0.313129 0.643930 O\n0.344876 0.313129 0.143930 O\n0.844876 0.686871 0.356070 O\n0.846049 0.683836 0.059313 O\n0.346049 0.316164 0.440687 O\n0.153951 0.316164 0.940687 O\n0.653951 0.683836 0.559313 O\n0.930209 0.091722 0.844240 F\n0.430209 0.908278 0.655760 F\n0.069791 0.908278 0.155760 F\n0.569791 0.091722 0.344240 F\n",
            "nsites": 36,
            "nelements": 6,
            "elements": [
                "Ba",
                "Mn",
                "P",
                "Cl",
                "O",
                "F"
            ],
            "chemical_system": "Ba-Cl-F-Mn-O-P",
            "density": 4.104828031440691,
            "density_atomic": 0.06511167891972104,
            "volume": 552.8962022986066,
            "volume_molar": 9.248940988643456,
            "formula_full": "Ba4 Mn4 P4 Cl4 O16 F4",
            "formula_reduced": "BaMnPClO4F",
            "formula_anonymous": "ABCDEF4",
            "energy": -262.72567218,
            "energy_per_atom": -7.297935338333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -240.75767218,
            "band_gap": 2.4601,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9995821,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:14.739000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1204228",
            "created_at": "2022-09-04T14:41:59.577216Z",
            "structure_string": "Na8 Li8 Co8 P8 O32 F8\n1.0\n6.352304 0.000000 0.000000\n0.000000 11.023381 0.000000\n0.000000 0.000000 11.457478\nNa Li Co P O F\n8 8 8 8 32 8\ndirect\n0.007996 0.223290 0.653384 Na\n0.492004 0.723290 0.846616 Na\n0.507996 0.776710 0.346616 Na\n0.992004 0.276710 0.153384 Na\n0.992004 0.776710 0.346616 Na\n0.507996 0.276710 0.153384 Na\n0.492004 0.223290 0.653384 Na\n0.007996 0.723290 0.846616 Na\n0.250000 0.273789 0.409655 Li\n0.250000 0.773789 0.090345 Li\n0.750000 0.726211 0.590345 Li\n0.750000 0.226211 0.909655 Li\n0.250000 0.949300 0.731807 Li\n0.250000 0.449300 0.768193 Li\n0.750000 0.050700 0.268193 Li\n0.750000 0.550700 0.231807 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.250000 0.041874 0.257428 P\n0.250000 0.541874 0.242572 P\n0.750000 0.958126 0.742572 P\n0.750000 0.458126 0.757428 P\n0.250000 0.246718 0.921550 P\n0.250000 0.746718 0.578450 P\n0.750000 0.753282 0.078450 P\n0.750000 0.253282 0.421550 P\n0.048128 0.180339 0.964502 O\n0.451872 0.680339 0.535498 O\n0.548128 0.819661 0.035498 O\n0.951872 0.319661 0.464502 O\n0.951872 0.819661 0.035498 O\n0.548128 0.319661 0.464502 O\n0.451872 0.180339 0.964502 O\n0.048128 0.680339 0.535498 O\n0.250000 0.266095 0.790026 O\n0.250000 0.766095 0.709974 O\n0.750000 0.733905 0.209974 O\n0.750000 0.233905 0.290026 O\n0.250000 0.181588 0.258286 O\n0.250000 0.681588 0.241714 O\n0.750000 0.818412 0.741714 O\n0.750000 0.318412 0.758286 O\n0.250000 0.375370 0.983892 O\n0.250000 0.875370 0.516108 O\n0.750000 0.624630 0.016108 O\n0.750000 0.124630 0.483892 O\n0.250000 0.491915 0.371192 O\n0.250000 0.991915 0.128808 O\n0.750000 0.508085 0.628808 O\n0.750000 0.008085 0.871192 O\n0.547412 0.007427 0.680065 O\n0.952588 0.507427 0.819935 O\n0.047412 0.992573 0.319935 O\n0.452588 0.492573 0.180065 O\n0.452588 0.992573 0.319935 O\n0.047412 0.492573 0.180065 O\n0.952588 0.007427 0.680065 O\n0.547412 0.507427 0.819935 O\n0.250000 0.127803 0.526819 F\n0.250000 0.627803 0.973181 F\n0.750000 0.872197 0.473181 F\n0.750000 0.372197 0.026819 F\n0.250000 0.441048 0.606043 F\n0.250000 0.941048 0.893957 F\n0.750000 0.558952 0.393957 F\n0.750000 0.058952 0.106043 F\n",
            "nsites": 72,
            "nelements": 6,
            "elements": [
                "Na",
                "Li",
                "Co",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-Li-Na-O-P",
            "density": 3.358490595766199,
            "density_atomic": 0.08974233649853396,
            "volume": 802.2969181460547,
            "volume_molar": 6.710479128319083,
            "formula_full": "Na8 Li8 Co8 P8 O32 F8",
            "formula_reduced": "NaLiCoPO4F",
            "formula_anonymous": "ABCDEF4",
            "energy": -466.00142338,
            "energy_per_atom": -6.472241991388889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -427.21742338,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.4751633,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:35.924000Z",
            "spacegroup": 62
        }
    ]
}