GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical
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_theoretical&page=2",
    "previous": null,
    "results": [
        {
            "id": "mp-570293",
            "created_at": "2022-09-04T14:46:40.637324Z",
            "structure_string": "Nb10 Ga6\n1.0\n-5.178362 5.178362 2.554055\n5.178362 -5.178362 2.554055\n5.178362 5.178362 -2.554055\nNb Ga\n10 6\ndirect\n0.250000 0.750000 0.500000 Nb\n0.750000 0.250000 0.500000 Nb\n0.221660 0.075568 0.297229 Nb\n0.778340 0.924432 0.702771 Nb\n0.278340 0.575568 0.853908 Nb\n0.721660 0.424432 0.146092 Nb\n0.075568 0.778340 0.853908 Nb\n0.924432 0.221660 0.146092 Nb\n0.575568 0.721660 0.297229 Nb\n0.424432 0.278340 0.702771 Nb\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.665782 0.165782 0.831563 Ga\n0.334218 0.834218 0.168437 Ga\n0.834218 0.665782 0.500000 Ga\n0.165782 0.334218 0.500000 Ga\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Nb",
                "Ga"
            ],
            "chemical_system": "Ga-Nb",
            "density": 8.1671619955325,
            "density_atomic": 0.05840431463139334,
            "volume": 273.9523629543582,
            "volume_molar": 10.311123070285964,
            "formula_full": "Nb10 Ga6",
            "formula_reduced": "Nb5Ga3",
            "formula_anonymous": "A3B5",
            "energy": -124.49501914,
            "energy_per_atom": -7.78093869625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -124.49501914,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001612,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:43.058000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-557926",
            "created_at": "2022-09-04T14:46:40.708971Z",
            "structure_string": "Cd4 As8 Xe16 F80\n1.0\n8.932939 0.000000 0.000000\n0.000000 13.985589 0.000000\n0.000000 0.000000 17.109060\nCd As Xe F\n4 8 16 80\ndirect\n0.633590 0.949858 0.596342 Cd\n0.866410 0.050142 0.096342 Cd\n0.133590 0.550142 0.403658 Cd\n0.366410 0.449858 0.903658 Cd\n0.232375 0.710905 0.221820 As\n0.530131 0.992513 0.011824 As\n0.969869 0.007487 0.511824 As\n0.469869 0.492513 0.488176 As\n0.767625 0.210905 0.278180 As\n0.732375 0.789095 0.778180 As\n0.267625 0.289095 0.721820 As\n0.030131 0.507487 0.988176 As\n0.929680 0.342290 0.539028 Xe\n0.429680 0.157710 0.460972 Xe\n0.774127 0.866254 0.285063 Xe\n0.274127 0.633746 0.714937 Xe\n0.725873 0.133746 0.785063 Xe\n0.748703 0.462000 0.772361 Xe\n0.570320 0.657710 0.039028 Xe\n0.070320 0.842290 0.960972 Xe\n0.679009 0.314460 0.040740 Xe\n0.751297 0.538000 0.272361 Xe\n0.251297 0.962000 0.727639 Xe\n0.248703 0.038000 0.227639 Xe\n0.320991 0.814460 0.459260 Xe\n0.225873 0.366254 0.214937 Xe\n0.820991 0.685540 0.540740 Xe\n0.179009 0.185540 0.959260 Xe\n0.360583 0.947983 0.048892 F\n0.605784 0.040758 0.709875 F\n0.333213 0.274851 0.140261 F\n0.063174 0.402195 0.447811 F\n0.517314 0.608596 0.454799 F\n0.823277 0.308483 0.218157 F\n0.920003 0.750488 0.771549 F\n0.139417 0.052017 0.548892 F\n0.666787 0.774851 0.359739 F\n0.176723 0.808483 0.281843 F\n0.639417 0.447983 0.451108 F\n0.017314 0.891404 0.545201 F\n0.203907 0.778893 0.136765 F\n0.888467 0.507312 0.685775 F\n0.860583 0.552017 0.951108 F\n0.393977 0.912609 0.635318 F\n0.650176 0.787342 0.553276 F\n0.209246 0.458508 0.018953 F\n0.878244 0.027115 0.605407 F\n0.700531 0.714709 0.125301 F\n0.454768 0.329933 0.721937 F\n0.788816 0.890328 0.831998 F\n0.105784 0.459242 0.290125 F\n0.017889 0.079799 0.975733 F\n0.765210 0.859041 0.688501 F\n0.563174 0.097805 0.552189 F\n0.982686 0.391404 0.954799 F\n0.150176 0.712658 0.446724 F\n0.046862 0.981959 0.419561 F\n0.936826 0.902195 0.052189 F\n0.045232 0.670067 0.221937 F\n0.296093 0.221107 0.636765 F\n0.453138 0.018041 0.919561 F\n0.299469 0.214709 0.374699 F\n0.121756 0.527115 0.894593 F\n0.517889 0.420201 0.024267 F\n0.086314 0.621271 0.018317 F\n0.482111 0.920201 0.475733 F\n0.079997 0.250488 0.728451 F\n0.894216 0.959242 0.209875 F\n0.234790 0.359041 0.811499 F\n0.349824 0.287342 0.946724 F\n0.799469 0.285291 0.625301 F\n0.265210 0.640959 0.311499 F\n0.711184 0.109672 0.331998 F\n0.579997 0.249512 0.271549 F\n0.913686 0.121271 0.481683 F\n0.546862 0.518041 0.580439 F\n0.790754 0.958508 0.481047 F\n0.200531 0.785291 0.874699 F\n0.394216 0.540758 0.790125 F\n0.796093 0.278893 0.363235 F\n0.606023 0.412609 0.864682 F\n0.586314 0.878729 0.981683 F\n0.954768 0.170067 0.278063 F\n0.211184 0.390328 0.668002 F\n0.378244 0.472885 0.394593 F\n0.436826 0.597805 0.947811 F\n0.166787 0.725149 0.640261 F\n0.290754 0.541492 0.518953 F\n0.288816 0.609672 0.168002 F\n0.953138 0.481959 0.080439 F\n0.621756 0.972885 0.105407 F\n0.413686 0.378729 0.518317 F\n0.833213 0.225149 0.859739 F\n0.106023 0.087391 0.135318 F\n0.849824 0.212658 0.053276 F\n0.482686 0.108596 0.045201 F\n0.703907 0.721107 0.863235 F\n0.420003 0.749512 0.228451 F\n0.611533 0.492688 0.185775 F\n0.893977 0.587391 0.364682 F\n0.734790 0.140959 0.188501 F\n0.545232 0.829933 0.778063 F\n0.676723 0.691517 0.718157 F\n0.982111 0.579799 0.524267 F\n0.709246 0.041492 0.981047 F\n0.111533 0.007312 0.814225 F\n0.323277 0.191517 0.781843 F\n0.388467 0.992688 0.314225 F\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "Cd",
                "As",
                "Xe",
                "F"
            ],
            "chemical_system": "As-Cd-F-Xe",
            "density": 3.627649880585538,
            "density_atomic": 0.05052687939570756,
            "volume": 2137.4761570803635,
            "volume_molar": 11.918687304705388,
            "formula_full": "Cd4 As8 Xe16 F80",
            "formula_reduced": "CdAs2(XeF5)4",
            "formula_anonymous": "AB2C4D20",
            "energy": -382.35515304,
            "energy_per_atom": -3.540325491111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -345.39515304,
            "band_gap": 2.3694,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0128578,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.197000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1201935",
            "created_at": "2022-09-04T14:46:40.472694Z",
            "structure_string": "K8 P8 H16 O28\n1.0\n0.000000 -7.836889 0.000000\n-10.171352 0.000000 0.496091\n0.111835 0.000000 -10.375982\nK P H O\n8 8 16 28\ndirect\n0.777222 0.927605 0.893140 K\n0.722778 0.427605 0.393140 K\n0.222778 0.072395 0.106860 K\n0.277222 0.572395 0.606860 K\n0.994351 0.275149 0.772583 K\n0.505649 0.775149 0.272583 K\n0.005649 0.724851 0.227417 K\n0.494351 0.224851 0.727417 K\n0.744459 0.083935 0.209318 P\n0.755541 0.583935 0.709318 P\n0.255541 0.916065 0.790682 P\n0.244459 0.416065 0.290682 P\n0.753708 0.242842 0.073257 P\n0.746292 0.742842 0.573257 P\n0.246292 0.757158 0.926743 P\n0.253708 0.257158 0.426743 P\n0.956507 0.147409 0.346097 H\n0.543493 0.647409 0.846097 H\n0.043493 0.852591 0.653903 H\n0.456507 0.352591 0.153903 H\n0.989624 0.348810 0.142392 H\n0.510376 0.848810 0.642392 H\n0.010376 0.651190 0.857608 H\n0.489624 0.151190 0.357608 H\n0.304147 0.471909 0.882932 H\n0.195853 0.971909 0.382932 H\n0.695853 0.528091 0.117068 H\n0.804147 0.028091 0.617068 H\n0.280355 0.362904 0.978909 H\n0.219645 0.862904 0.478909 H\n0.719645 0.637096 0.021091 H\n0.780355 0.137096 0.521091 H\n0.854522 0.971292 0.155874 O\n0.645478 0.471292 0.655874 O\n0.145478 0.028708 0.844126 O\n0.354522 0.528708 0.344126 O\n0.557629 0.057012 0.239908 O\n0.942371 0.557012 0.739908 O\n0.442371 0.942988 0.760092 O\n0.057629 0.442988 0.260092 O\n0.825213 0.152544 0.340676 O\n0.674787 0.652544 0.840676 O\n0.174787 0.847456 0.659324 O\n0.325213 0.347456 0.159324 O\n0.704566 0.187959 0.940134 O\n0.795434 0.687959 0.440134 O\n0.295434 0.812041 0.059866 O\n0.204566 0.312041 0.559866 O\n0.651964 0.359259 0.135380 O\n0.848036 0.859259 0.635380 O\n0.348036 0.640741 0.864620 O\n0.151964 0.140741 0.364620 O\n0.952024 0.283451 0.068697 O\n0.547976 0.783451 0.568697 O\n0.047976 0.716549 0.931303 O\n0.452024 0.216549 0.431303 O\n0.282386 0.376459 0.885854 O\n0.217614 0.876459 0.385854 O\n0.717614 0.623541 0.114146 O\n0.782386 0.123541 0.614146 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "K",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-K-O-P",
            "density": 2.058339401951699,
            "density_atomic": 0.072581848749671,
            "volume": 826.6529584681042,
            "volume_molar": 8.297034125942261,
            "formula_full": "K8 P8 H16 O28",
            "formula_reduced": "K2P2H4O7",
            "formula_anonymous": "A2B2C4D7",
            "energy": -367.22748362,
            "energy_per_atom": -6.120458060333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.99148362,
            "band_gap": 5.1259,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027339,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:48.953000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-28",
            "created_at": "2022-09-04T14:46:40.447969Z",
            "structure_string": "Ce1\n1.0\n0.000000 2.360218 2.360218\n2.360218 0.000000 2.360218\n2.360218 2.360218 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
            "nsites": 1,
            "nelements": 1,
            "elements": [
                "Ce"
            ],
            "chemical_system": "Ce",
            "density": 8.848109284372958,
            "density_atomic": 0.038028890054505424,
            "volume": 26.295797709760564,
            "volume_molar": 15.835699520466374,
            "formula_full": "Ce1",
            "formula_reduced": "Ce",
            "formula_anonymous": "A",
            "energy": -5.93152909,
            "energy_per_atom": -5.93152909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -5.93152909,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0453721,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:42.837000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-18977",
            "created_at": "2022-09-04T14:46:40.547935Z",
            "structure_string": "Ba2 Ca1 W1 O6\n1.0\n0.000000 4.261836 4.261836\n4.261836 0.000000 4.261836\n4.261836 4.261836 0.000000\nBa Ca W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 W\n0.729812 0.729812 0.270188 O\n0.270188 0.729812 0.270188 O\n0.729812 0.270188 0.270188 O\n0.270188 0.270188 0.729812 O\n0.729812 0.270188 0.729812 O\n0.270188 0.729812 0.729812 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ca",
                "W",
                "O"
            ],
            "chemical_system": "Ba-Ca-O-W",
            "density": 6.377210092501664,
            "density_atomic": 0.06459215936536385,
            "volume": 154.81755213407968,
            "volume_molar": 9.323330910700664,
            "formula_full": "Ba2 Ca1 W1 O6",
            "formula_reduced": "Ba2CaWO6",
            "formula_anonymous": "ABC2D6",
            "energy": -78.78626378,
            "energy_per_atom": -7.878626378,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.22626378,
            "band_gap": 3.183,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:42.956000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1078775",
            "created_at": "2022-09-04T14:46:40.570542Z",
            "structure_string": "Nd1 Cr2 B6\n1.0\n-1.553106 3.283437 4.173399\n1.553106 -3.283437 4.173399\n1.553106 3.283437 -4.173399\nNd Cr B\n1 2 6\ndirect\n0.500000 0.000000 0.500000 Nd\n0.846180 0.846180 0.000000 Cr\n0.153820 0.153820 0.000000 Cr\n0.139366 0.500000 0.639366 B\n0.860634 0.500000 0.360634 B\n0.433082 0.697534 0.735548 B\n0.038013 0.302466 0.735548 B\n0.961987 0.697534 0.264452 B\n0.566918 0.302466 0.264452 B\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Nd",
                "Cr",
                "B"
            ],
            "chemical_system": "B-Cr-Nd",
            "density": 6.1073492825042255,
            "density_atomic": 0.10572138042770986,
            "volume": 85.12942191626053,
            "volume_molar": 5.696237351079442,
            "formula_full": "Nd1 Cr2 B6",
            "formula_reduced": "Nd(CrB3)2",
            "formula_anonymous": "AB2C6",
            "energy": -68.94079371,
            "energy_per_atom": -7.66008819,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.94079371,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0420704,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.327000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-7607",
            "created_at": "2022-09-04T14:46:40.149050Z",
            "structure_string": "Ti2 Hg2 O6\n1.0\n4.867489 -2.723266 0.000000\n4.867489 2.723266 0.000000\n3.343873 0.000000 4.463982\nTi Hg O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.250000 0.667968 0.832032 O\n0.832032 0.250000 0.667968 O\n0.667968 0.832032 0.250000 O\n0.750000 0.332032 0.167968 O\n0.332032 0.167968 0.750000 O\n0.167968 0.750000 0.332032 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ti",
                "Hg",
                "O"
            ],
            "chemical_system": "Hg-O-Ti",
            "density": 8.319374843308553,
            "density_atomic": 0.08449918631705684,
            "volume": 118.3443348493099,
            "volume_molar": 7.126862426111177,
            "formula_full": "Ti2 Hg2 O6",
            "formula_reduced": "TiHgO3",
            "formula_anonymous": "ABC3",
            "energy": -68.60180972,
            "energy_per_atom": -6.860180972,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.47980972,
            "band_gap": 1.3493999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:40.203000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-510605",
            "created_at": "2022-09-04T14:46:40.678551Z",
            "structure_string": "Gd4 Zr4 O14\n1.0\n0.000000 5.271732 5.271732\n5.271732 0.000000 5.271732\n5.271732 5.271732 0.000000\nGd Zr O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Gd\n0.125000 0.625000 0.125000 Gd\n0.125000 0.125000 0.625000 Gd\n0.125000 0.125000 0.125000 Gd\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.748769 0.748769 0.251231 O\n0.251231 0.251231 0.748769 O\n0.748769 0.251231 0.748769 O\n0.251231 0.748769 0.251231 O\n0.251231 0.748769 0.748769 O\n0.748769 0.251231 0.251231 O\n0.501231 0.501231 0.998769 O\n0.998769 0.998769 0.501231 O\n0.501231 0.998769 0.501231 O\n0.998769 0.501231 0.998769 O\n0.998769 0.501231 0.501231 O\n0.501231 0.998769 0.998769 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Gd",
                "Zr",
                "O"
            ],
            "chemical_system": "Gd-O-Zr",
            "density": 6.901863072461585,
            "density_atomic": 0.07508146078056908,
            "volume": 293.0150768416263,
            "volume_molar": 8.02080926155677,
            "formula_full": "Gd4 Zr4 O14",
            "formula_reduced": "Gd2Zr2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -238.4826859,
            "energy_per_atom": -10.840122086363637,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -228.8646859,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0010583,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.820000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-11363",
            "created_at": "2022-09-04T14:46:40.997322Z",
            "structure_string": "Tb1 Cu5\n1.0\n2.500423 -4.330860 0.000000\n2.500423 4.330860 0.000000\n0.000000 0.000000 4.133107\nTb Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.333333 0.666667 0.000000 Cu\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Tb",
                "Cu"
            ],
            "chemical_system": "Cu-Tb",
            "density": 8.842178849797753,
            "density_atomic": 0.06702811036567023,
            "volume": 89.5146822320836,
            "volume_molar": 8.98450027480464,
            "formula_full": "Tb1 Cu5",
            "formula_reduced": "TbCu5",
            "formula_anonymous": "AB5",
            "energy": -26.26422716,
            "energy_per_atom": -4.3773711933333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.26422716,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.004698,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:43.332000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1102469",
            "created_at": "2022-09-04T14:46:39.951936Z",
            "structure_string": "Li1 H3 C2 O5\n1.0\n-0.098567 0.027001 3.604547\n-5.098675 0.045765 0.974909\n-1.129876 -6.030518 0.556729\nLi H C O\n1 3 2 5\ndirect\n0.929865 0.134397 0.298834 Li\n0.632867 0.352915 0.730856 H\n0.309519 0.496367 0.349117 H\n0.364687 0.453553 0.102952 H\n0.992335 0.996680 0.803537 C\n0.210602 0.759909 0.691548 C\n0.007508 0.997656 0.002023 O\n0.797919 0.186157 0.658922 O\n0.175288 0.775558 0.488634 O\n0.412413 0.567515 0.818699 O\n0.366206 0.353153 0.257008 O\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "Li",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-Li-O",
            "density": 1.7131523657069014,
            "density_atomic": 0.09956315642335041,
            "volume": 110.48263629998964,
            "volume_molar": 6.04856352122203,
            "formula_full": "Li1 H3 C2 O5",
            "formula_reduced": "LiH3C2O5",
            "formula_anonymous": "AB2C3D5",
            "energy": -72.55268561,
            "energy_per_atom": -6.595698691818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.11768561,
            "band_gap": 3.3479,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010018,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:44.711000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-29091",
            "created_at": "2022-09-04T14:46:40.310256Z",
            "structure_string": "Ti1 Cu4 S4\n1.0\n-2.721235 2.721235 5.305449\n2.721235 -2.721235 5.305449\n2.721235 2.721235 -5.305449\nTi Cu S\n1 4 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.258148 0.258148 0.000000 Cu\n0.741852 0.741852 0.000000 Cu\n0.881210 0.881210 0.511585 S\n0.118790 0.630375 0.000000 S\n0.630375 0.118790 0.000000 S\n0.369625 0.369625 0.488415 S\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Ti",
                "Cu",
                "S"
            ],
            "chemical_system": "Cu-S-Ti",
            "density": 4.546920006726615,
            "density_atomic": 0.05727014434441014,
            "volume": 157.14994440866022,
            "volume_molar": 10.515323173945854,
            "formula_full": "Ti1 Cu4 S4",
            "formula_reduced": "Ti(CuS)4",
            "formula_anonymous": "AB4C4",
            "energy": -48.31124093,
            "energy_per_atom": -5.367915658888888,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.29924093,
            "band_gap": 1.4256000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006366,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.339000Z",
            "spacegroup": 121
        },
        {
            "id": "mp-561999",
            "created_at": "2022-09-04T14:46:40.000527Z",
            "structure_string": "Cs4 Al4 Ag4 F24\n1.0\n7.346676 0.000000 0.000000\n0.000000 7.575655 0.000000\n0.000000 0.000000 10.548701\nCs Al Ag F\n4 4 4 24\ndirect\n0.750000 0.520820 0.133974 Cs\n0.250000 0.479180 0.866026 Cs\n0.250000 0.979180 0.633974 Cs\n0.750000 0.020820 0.366026 Cs\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.250000 0.784417 0.254144 Ag\n0.750000 0.715583 0.754144 Ag\n0.250000 0.284417 0.245856 Ag\n0.750000 0.215583 0.745856 Ag\n0.250000 0.464151 0.505380 F\n0.750000 0.535849 0.494620 F\n0.750000 0.962712 0.668699 F\n0.470230 0.700405 0.406852 F\n0.250000 0.964151 0.994620 F\n0.012920 0.632059 0.644735 F\n0.029770 0.200405 0.093148 F\n0.529770 0.299595 0.593148 F\n0.512920 0.867941 0.144735 F\n0.250000 0.537288 0.168699 F\n0.987080 0.867941 0.144735 F\n0.512920 0.367941 0.355265 F\n0.470230 0.200405 0.093148 F\n0.970230 0.299595 0.593148 F\n0.250000 0.037288 0.331301 F\n0.970230 0.799595 0.906852 F\n0.487080 0.632059 0.644735 F\n0.750000 0.462712 0.831301 F\n0.750000 0.035849 0.005380 F\n0.487080 0.132059 0.855265 F\n0.987080 0.367941 0.355265 F\n0.529770 0.799595 0.906852 F\n0.012920 0.132059 0.855265 F\n0.029770 0.700405 0.406852 F\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Cs",
                "Al",
                "Ag",
                "F"
            ],
            "chemical_system": "Ag-Al-Cs-F",
            "density": 4.318899336369671,
            "density_atomic": 0.06131862992526568,
            "volume": 587.0972662611072,
            "volume_molar": 9.82106215898774,
            "formula_full": "Cs4 Al4 Ag4 F24",
            "formula_reduced": "CsAlAgF6",
            "formula_anonymous": "ABCD6",
            "energy": -180.66261874,
            "energy_per_atom": -5.018406076111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -169.57461874,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015956,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:41.809000Z",
            "spacegroup": 62
        }
    ]
}