GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=4
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=5",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=3",
    "results": [
        {
            "id": "mp-697981",
            "created_at": "2022-09-04T14:39:06.936908Z",
            "structure_string": "Cd12 H8 C4 Se4 O32\n1.0\n6.689342 0.000000 0.000000\n0.000000 10.574441 0.000000\n0.000000 0.000000 10.650920\nCd H C Se O\n12 8 4 4 32\ndirect\n0.529538 0.332571 0.545495 Cd\n0.029538 0.167429 0.954505 Cd\n0.470462 0.667429 0.045495 Cd\n0.970462 0.832571 0.454505 Cd\n0.470462 0.667429 0.454505 Cd\n0.970462 0.832571 0.045495 Cd\n0.529538 0.332571 0.954505 Cd\n0.029538 0.167429 0.545495 Cd\n0.748798 0.126487 0.250000 Cd\n0.248798 0.373513 0.250000 Cd\n0.251202 0.873513 0.750000 Cd\n0.751202 0.626487 0.750000 Cd\n0.642140 0.096475 0.489878 H\n0.142140 0.403525 0.010122 H\n0.357860 0.903525 0.989878 H\n0.857860 0.596475 0.510122 H\n0.357860 0.903525 0.510122 H\n0.857860 0.596475 0.989878 H\n0.642140 0.096475 0.010122 H\n0.142140 0.403525 0.489878 H\n0.374529 0.148244 0.750000 C\n0.874529 0.351756 0.750000 C\n0.625471 0.851756 0.250000 C\n0.125471 0.648244 0.250000 C\n0.247622 0.025593 0.250000 Se\n0.747622 0.474407 0.250000 Se\n0.752378 0.974407 0.750000 Se\n0.252378 0.525593 0.750000 Se\n0.381007 0.164409 0.250000 O\n0.881007 0.335591 0.250000 O\n0.618993 0.835591 0.750000 O\n0.118993 0.664409 0.750000 O\n0.073846 0.039917 0.128881 O\n0.573846 0.460083 0.371119 O\n0.926154 0.960083 0.628881 O\n0.426154 0.539917 0.871119 O\n0.926154 0.960083 0.871119 O\n0.426154 0.539917 0.628881 O\n0.073846 0.039917 0.371119 O\n0.573846 0.460083 0.128881 O\n0.452841 0.261745 0.750000 O\n0.952841 0.238255 0.750000 O\n0.547159 0.738255 0.250000 O\n0.047159 0.761745 0.250000 O\n0.710588 0.173490 0.462821 O\n0.210588 0.326510 0.037179 O\n0.289412 0.826510 0.962821 O\n0.789412 0.673490 0.537179 O\n0.289412 0.826510 0.537179 O\n0.789412 0.673490 0.962821 O\n0.710588 0.173490 0.037179 O\n0.210588 0.326510 0.462821 O\n0.338047 0.091779 0.644121 O\n0.838047 0.408221 0.855879 O\n0.661953 0.908221 0.144121 O\n0.161953 0.591779 0.355879 O\n0.661953 0.908221 0.355879 O\n0.161953 0.591779 0.144121 O\n0.338047 0.091779 0.855879 O\n0.838047 0.408221 0.644121 O\n",
            "nsites": 60,
            "nelements": 5,
            "elements": [
                "Cd",
                "H",
                "C",
                "Se",
                "O"
            ],
            "chemical_system": "C-Cd-H-O-Se",
            "density": 4.9213298979513365,
            "density_atomic": 0.07963854356051255,
            "volume": 753.4040342464275,
            "volume_molar": 7.561841905639744,
            "formula_full": "Cd12 H8 C4 Se4 O32",
            "formula_reduced": "Cd3H2CSeO8",
            "formula_anonymous": "ABC2D3E8",
            "energy": -337.33838219,
            "energy_per_atom": -5.622306369833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -315.35438219,
            "band_gap": 2.763,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002184,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.882000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-18495",
            "created_at": "2022-09-04T14:39:07.277795Z",
            "structure_string": "Sr2 Li2 B18 O30\n1.0\n6.700538 -5.409787 0.000000\n6.700538 5.409787 0.000000\n2.332861 0.000000 8.289799\nSr Li B O\n2 2 18 30\ndirect\n0.492192 0.492192 0.492192 Sr\n0.992192 0.992192 0.992192 Sr\n0.233133 0.233133 0.233133 Li\n0.733133 0.733133 0.733133 Li\n0.625130 0.768866 0.103893 B\n0.711286 0.275309 0.833660 B\n0.333660 0.775309 0.211286 B\n0.211286 0.333660 0.775309 B\n0.268866 0.125130 0.603893 B\n0.603893 0.268866 0.125130 B\n0.125130 0.603893 0.268866 B\n0.275309 0.833660 0.711286 B\n0.768866 0.103893 0.625130 B\n0.103893 0.625130 0.768866 B\n0.280579 0.939762 0.422768 B\n0.422768 0.280579 0.939762 B\n0.939762 0.422768 0.280579 B\n0.780579 0.922768 0.439762 B\n0.439762 0.780579 0.922768 B\n0.922768 0.439762 0.780579 B\n0.833660 0.711286 0.275309 B\n0.775309 0.211286 0.333660 B\n0.769121 0.795330 0.125314 O\n0.125314 0.769121 0.795330 O\n0.231081 0.505055 0.735152 O\n0.505055 0.735152 0.231081 O\n0.795330 0.125314 0.769121 O\n0.005055 0.731081 0.235152 O\n0.731081 0.235152 0.005055 O\n0.235152 0.005055 0.731081 O\n0.274761 0.259737 0.925487 O\n0.259737 0.925487 0.274761 O\n0.925487 0.274761 0.259737 O\n0.759737 0.774761 0.425487 O\n0.774761 0.425487 0.759737 O\n0.425487 0.759737 0.774761 O\n0.269121 0.625314 0.295330 O\n0.295330 0.269121 0.625314 O\n0.307477 0.811263 0.542484 O\n0.542484 0.307477 0.811263 O\n0.811263 0.542484 0.307477 O\n0.807477 0.042484 0.311263 O\n0.311263 0.807477 0.042484 O\n0.042484 0.311263 0.807477 O\n0.274974 0.098397 0.446889 O\n0.446889 0.274974 0.098397 O\n0.098397 0.446889 0.274974 O\n0.774974 0.946889 0.598397 O\n0.598397 0.774974 0.946889 O\n0.946889 0.598397 0.774974 O\n0.735152 0.231081 0.505055 O\n0.625314 0.295330 0.269121 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Sr",
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O-Sr",
            "density": 2.386432671682714,
            "density_atomic": 0.08652458143449206,
            "volume": 600.9852823081185,
            "volume_molar": 6.960034547591976,
            "formula_full": "Sr2 Li2 B18 O30",
            "formula_reduced": "SrLi(B3O5)3",
            "formula_anonymous": "ABC9D15",
            "energy": -428.16294489,
            "energy_per_atom": -8.233902786346153,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -407.55294489,
            "band_gap": 5.6482,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0024364,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.032000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-1204674",
            "created_at": "2022-09-04T14:39:06.936934Z",
            "structure_string": "Ni18 Te10 Pb12 O60\n1.0\n5.219565 -9.040551 0.000000\n5.219565 9.040551 0.000000\n0.000000 0.000000 13.712753\nNi Te Pb O\n18 10 12 60\ndirect\n0.666667 0.333333 0.111662 Ni\n0.333333 0.666667 0.888338 Ni\n0.333333 0.666667 0.611662 Ni\n0.666667 0.333333 0.388338 Ni\n0.168551 0.337103 0.250000 Ni\n0.662897 0.831449 0.250000 Ni\n0.168551 0.831449 0.250000 Ni\n0.337103 0.168551 0.750000 Ni\n0.831449 0.662897 0.750000 Ni\n0.831449 0.168551 0.750000 Ni\n0.497092 0.994183 0.250000 Ni\n0.005817 0.502908 0.250000 Ni\n0.497092 0.502908 0.250000 Ni\n0.994183 0.497092 0.750000 Ni\n0.502908 0.005817 0.750000 Ni\n0.502908 0.497092 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.666667 0.333333 0.901254 Te\n0.333333 0.666667 0.098746 Te\n0.333333 0.666667 0.401254 Te\n0.666667 0.333333 0.598746 Te\n0.334913 0.167456 0.250000 Te\n0.832544 0.167456 0.250000 Te\n0.832544 0.665087 0.250000 Te\n0.167456 0.334913 0.750000 Te\n0.167456 0.832544 0.750000 Te\n0.665087 0.832544 0.750000 Te\n0.736441 0.736441 0.000000 Pb\n0.263559 0.000000 0.000000 Pb\n0.000000 0.263559 0.000000 Pb\n0.263559 0.263559 0.500000 Pb\n0.736441 0.000000 0.500000 Pb\n0.000000 0.736441 0.500000 Pb\n0.000000 0.612946 0.000000 Pb\n0.387054 0.387054 0.000000 Pb\n0.612946 0.000000 0.000000 Pb\n0.000000 0.387054 0.500000 Pb\n0.612946 0.612946 0.500000 Pb\n0.387054 0.000000 0.500000 Pb\n0.335355 0.327449 0.328125 O\n0.672551 0.007907 0.328125 O\n0.992093 0.664645 0.328125 O\n0.327449 0.335355 0.671875 O\n0.007907 0.672551 0.671875 O\n0.664645 0.992093 0.671875 O\n0.664645 0.672551 0.828125 O\n0.327449 0.992093 0.828125 O\n0.007907 0.335355 0.828125 O\n0.672551 0.664645 0.171875 O\n0.992093 0.327449 0.171875 O\n0.335355 0.007907 0.171875 O\n0.178321 0.167216 0.170928 O\n0.832784 0.011105 0.170928 O\n0.988895 0.821679 0.170928 O\n0.167216 0.178321 0.829072 O\n0.011105 0.832784 0.829072 O\n0.821679 0.988895 0.829072 O\n0.821679 0.832784 0.670928 O\n0.167216 0.988895 0.670928 O\n0.011105 0.178321 0.670928 O\n0.832784 0.821679 0.329072 O\n0.988895 0.167216 0.329072 O\n0.178321 0.011105 0.329072 O\n0.484220 0.156959 0.330659 O\n0.843041 0.327260 0.330659 O\n0.672740 0.515780 0.330659 O\n0.156959 0.484220 0.669341 O\n0.327260 0.843041 0.669341 O\n0.515780 0.672740 0.669341 O\n0.515780 0.843041 0.830659 O\n0.156959 0.672740 0.830659 O\n0.327260 0.484220 0.830659 O\n0.843041 0.515780 0.169341 O\n0.672740 0.156959 0.169341 O\n0.484220 0.327260 0.169341 O\n0.170087 0.500657 0.336696 O\n0.499343 0.669430 0.336696 O\n0.330570 0.829913 0.336696 O\n0.500657 0.170087 0.663304 O\n0.669430 0.499343 0.663304 O\n0.829913 0.330570 0.663304 O\n0.829913 0.499343 0.836696 O\n0.500657 0.330570 0.836696 O\n0.669430 0.170087 0.836696 O\n0.499343 0.829913 0.163304 O\n0.330570 0.500657 0.163304 O\n0.170087 0.669430 0.163304 O\n0.653711 0.473962 0.997380 O\n0.526038 0.179749 0.997380 O\n0.820251 0.346289 0.997380 O\n0.473962 0.653711 0.002620 O\n0.179749 0.526038 0.002620 O\n0.346289 0.820251 0.002620 O\n0.346289 0.526038 0.497380 O\n0.473962 0.820251 0.497380 O\n0.179749 0.653711 0.497380 O\n0.526038 0.346289 0.502620 O\n0.820251 0.473962 0.502620 O\n0.653711 0.179749 0.502620 O\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "Ni",
                "Te",
                "Pb",
                "O"
            ],
            "chemical_system": "Ni-O-Pb-Te",
            "density": 7.41491707868675,
            "density_atomic": 0.077270930162675,
            "volume": 1294.1477446883907,
            "volume_molar": 7.79353988275003,
            "formula_full": "Ni18 Te10 Pb12 O60",
            "formula_reduced": "Ni9Te5(PbO5)6",
            "formula_anonymous": "A5B6C9D30",
            "energy": -624.19045403,
            "energy_per_atom": -6.241904540299999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -537.23245403,
            "band_gap": 1.9839,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 36.0645301,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.208000Z",
            "spacegroup": 182
        },
        {
            "id": "mp-23972",
            "created_at": "2022-09-04T14:39:07.124114Z",
            "structure_string": "Fe4 P6 H6 O18\n1.0\n4.079923 -7.066634 0.000000\n4.079923 7.066634 0.000000\n0.000000 0.000000 7.489135\nFe P H O\n4 6 6 18\ndirect\n0.333333 0.666667 0.950792 Fe\n0.666667 0.333333 0.450792 Fe\n0.666667 0.333333 0.049208 Fe\n0.333333 0.666667 0.549208 Fe\n0.357216 0.047076 0.750000 P\n0.310140 0.357216 0.250000 P\n0.047076 0.689860 0.250000 P\n0.952924 0.310140 0.750000 P\n0.689860 0.642784 0.750000 P\n0.642784 0.952924 0.250000 P\n0.818384 0.838487 0.750000 H\n0.979897 0.818384 0.250000 H\n0.838487 0.020103 0.250000 H\n0.161513 0.979897 0.750000 H\n0.020103 0.181616 0.750000 H\n0.181616 0.161513 0.250000 H\n0.565374 0.837883 0.421636 O\n0.727492 0.565374 0.921636 O\n0.837883 0.272508 0.921636 O\n0.162117 0.727492 0.421636 O\n0.512734 0.382737 0.250000 O\n0.129997 0.512734 0.750000 O\n0.382737 0.870003 0.750000 O\n0.617263 0.129997 0.250000 O\n0.870003 0.487266 0.250000 O\n0.487266 0.617263 0.750000 O\n0.565374 0.837883 0.078364 O\n0.727492 0.565374 0.578364 O\n0.837883 0.272508 0.578364 O\n0.162117 0.727492 0.078364 O\n0.272508 0.434626 0.078364 O\n0.434626 0.162117 0.578364 O\n0.434626 0.162117 0.921636 O\n0.272508 0.434626 0.421636 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Fe",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Fe-H-O-P",
            "density": 2.704197645540299,
            "density_atomic": 0.07873225613903186,
            "volume": 431.843334197867,
            "volume_molar": 7.648886308256697,
            "formula_full": "Fe4 P6 H6 O18",
            "formula_reduced": "Fe2P3(HO3)3",
            "formula_anonymous": "A2B3C3D9",
            "energy": -241.293687,
            "energy_per_atom": -7.096873147058823,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -218.829687,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9968918,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.044000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-178",
            "created_at": "2022-09-04T14:39:13.747230Z",
            "structure_string": "Th2 Al2\n1.0\n2.231501 -5.726689 0.000000\n2.231501 5.726689 0.000000\n0.000000 0.000000 4.184372\nTh Al\n2 2\ndirect\n0.855542 0.144458 0.750000 Th\n0.144458 0.855542 0.250000 Th\n0.570766 0.429234 0.750000 Al\n0.429234 0.570766 0.250000 Al\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Th",
                "Al"
            ],
            "chemical_system": "Al-Th",
            "density": 8.043605305405107,
            "density_atomic": 0.03740236155533297,
            "volume": 106.94511880172082,
            "volume_molar": 16.100963975472133,
            "formula_full": "Th2 Al2",
            "formula_reduced": "ThAl",
            "formula_anonymous": "AB",
            "energy": -23.59768764,
            "energy_per_atom": -5.89942191,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.59768764,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0448491,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.086000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-7958",
            "created_at": "2022-09-04T14:39:07.154236Z",
            "structure_string": "K1 La1 O2\n1.0\n6.387740 -1.866281 0.000000\n6.387740 1.866281 0.000000\n5.842477 0.000000 3.186173\nK La O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 La\n0.769774 0.769774 0.769774 O\n0.230226 0.230226 0.230226 O\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "K",
                "La",
                "O"
            ],
            "chemical_system": "K-La-O",
            "density": 4.590395371184826,
            "density_atomic": 0.0526546071867228,
            "volume": 75.96676176531473,
            "volume_molar": 11.437063310802785,
            "formula_full": "K1 La1 O2",
            "formula_reduced": "KLaO2",
            "formula_anonymous": "ABC2",
            "energy": -27.98155048,
            "energy_per_atom": -6.99538762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.60755048,
            "band_gap": 3.8596,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004505,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.769000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1190646",
            "created_at": "2022-09-04T14:39:07.020952Z",
            "structure_string": "K4 Cu2 Te2 O14\n1.0\n3.321169 4.608525 0.000000\n-3.321169 4.608525 0.000000\n0.000000 1.239811 11.866292\nK Cu Te O\n4 2 2 14\ndirect\n0.053252 0.514114 0.824303 K\n0.485886 0.946748 0.675697 K\n0.946748 0.485886 0.175697 K\n0.514114 0.053252 0.324303 K\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.975021 0.222691 0.609041 O\n0.777309 0.024979 0.890959 O\n0.024979 0.777309 0.390959 O\n0.222691 0.975021 0.109041 O\n0.005330 0.251950 0.392403 O\n0.748050 0.994670 0.107597 O\n0.994670 0.748050 0.607597 O\n0.251950 0.005330 0.892403 O\n0.355410 0.349638 0.505602 O\n0.650362 0.644590 0.994398 O\n0.644590 0.650362 0.494398 O\n0.349638 0.355410 0.005602 O\n0.628403 0.371597 0.750000 O\n0.371597 0.628403 0.250000 O\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "K",
                "Cu",
                "Te",
                "O"
            ],
            "chemical_system": "Cu-K-O-Te",
            "density": 3.4865161653546495,
            "density_atomic": 0.06056541966070217,
            "volume": 363.24358228255926,
            "volume_molar": 9.943199921237339,
            "formula_full": "K4 Cu2 Te2 O14",
            "formula_reduced": "K2CuTeO7",
            "formula_anonymous": "ABC2D7",
            "energy": -113.06830586,
            "energy_per_atom": -5.139468448181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -103.45030586,
            "band_gap": 0.0256999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9764434,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.711000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1804",
            "created_at": "2022-09-04T14:39:07.163603Z",
            "structure_string": "Fe6 N2\n1.0\n2.329385 -4.034613 0.000000\n2.329385 4.034613 0.000000\n0.000000 0.000000 4.322224\nFe N\n6 2\ndirect\n0.673179 0.673179 0.000000 Fe\n0.000000 0.673179 0.500000 Fe\n0.673179 0.000000 0.500000 Fe\n0.326821 0.326821 0.500000 Fe\n0.000000 0.326821 0.000000 Fe\n0.326821 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Fe",
                "N"
            ],
            "chemical_system": "Fe-N",
            "density": 7.421215908097189,
            "density_atomic": 0.09847127535845915,
            "volume": 81.24196595279257,
            "volume_molar": 6.115631932335554,
            "formula_full": "Fe6 N2",
            "formula_reduced": "Fe3N",
            "formula_anonymous": "AB3",
            "energy": -68.75887598999999,
            "energy_per_atom": -8.594859498749999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.03687599,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.3569911,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.868000Z",
            "spacegroup": 182
        },
        {
            "id": "mp-14704",
            "created_at": "2022-09-04T14:39:07.030689Z",
            "structure_string": "Li24 Y4 B12 O36\n1.0\n16.541860 0.000000 0.000000\n0.000000 6.724091 0.000000\n0.000000 1.931438 7.006309\nLi Y B O\n24 4 12 36\ndirect\n0.552789 0.584732 0.862425 Li\n0.052789 0.915268 0.137575 Li\n0.447211 0.415268 0.137575 Li\n0.947211 0.084732 0.862425 Li\n0.795276 0.545623 0.438379 Li\n0.295276 0.954377 0.561621 Li\n0.204724 0.454377 0.561621 Li\n0.704724 0.045623 0.438379 Li\n0.964725 0.555717 0.306643 Li\n0.464725 0.944283 0.693357 Li\n0.035275 0.444283 0.693357 Li\n0.535275 0.055717 0.306643 Li\n0.705762 0.634507 0.715081 Li\n0.205762 0.865493 0.284919 Li\n0.294238 0.365493 0.284919 Li\n0.794238 0.134507 0.715081 Li\n0.969891 0.829778 0.546701 Li\n0.469891 0.670222 0.453299 Li\n0.030109 0.170222 0.453299 Li\n0.530109 0.329778 0.546701 Li\n0.004054 0.323992 0.071388 Li\n0.504054 0.176008 0.928612 Li\n0.995946 0.676008 0.928612 Li\n0.495946 0.823992 0.071388 Li\n0.810199 0.347216 0.079743 Y\n0.310199 0.152784 0.920257 Y\n0.189801 0.652784 0.920257 Y\n0.689801 0.847216 0.079743 Y\n0.635608 0.338275 0.083545 B\n0.135608 0.161725 0.916455 B\n0.364392 0.661725 0.916455 B\n0.864392 0.838275 0.083545 B\n0.620774 0.999329 0.714035 B\n0.120774 0.500671 0.285965 B\n0.379226 0.000671 0.285965 B\n0.879226 0.499329 0.714035 B\n0.884816 0.189383 0.439278 B\n0.384816 0.310617 0.560722 B\n0.115184 0.810617 0.560722 B\n0.615184 0.689383 0.439278 B\n0.826120 0.027737 0.007489 O\n0.326120 0.472263 0.992511 O\n0.173880 0.972263 0.992511 O\n0.673880 0.527737 0.007489 O\n0.685394 0.166262 0.145771 O\n0.185394 0.333738 0.854229 O\n0.314606 0.833738 0.854229 O\n0.814606 0.666262 0.145771 O\n0.553350 0.323776 0.087596 O\n0.053350 0.176224 0.912404 O\n0.446650 0.676224 0.912404 O\n0.946650 0.823776 0.087596 O\n0.574046 0.958254 0.879774 O\n0.074046 0.541746 0.120226 O\n0.425954 0.041746 0.120226 O\n0.925954 0.458254 0.879774 O\n0.797820 0.442367 0.740074 O\n0.297820 0.057633 0.259926 O\n0.202180 0.557633 0.259926 O\n0.702180 0.942367 0.740074 O\n0.588427 0.086308 0.537420 O\n0.088427 0.413692 0.462580 O\n0.411573 0.913692 0.462580 O\n0.911573 0.586308 0.537420 O\n0.568672 0.771244 0.276429 O\n0.068672 0.728756 0.723571 O\n0.431328 0.228756 0.723571 O\n0.931328 0.271244 0.276429 O\n0.802093 0.228416 0.421386 O\n0.302093 0.271584 0.578614 O\n0.197907 0.771584 0.578614 O\n0.697907 0.728416 0.421386 O\n0.921420 0.077134 0.605079 O\n0.421420 0.422866 0.394921 O\n0.078580 0.922866 0.394921 O\n0.578580 0.577134 0.605079 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Li",
                "Y",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O-Y",
            "density": 2.616442422572902,
            "density_atomic": 0.09752284940496068,
            "volume": 779.3045472288478,
            "volume_molar": 6.175107471473933,
            "formula_full": "Li24 Y4 B12 O36",
            "formula_reduced": "Li6Y(BO3)3",
            "formula_anonymous": "AB3C6D9",
            "energy": -544.97524013,
            "energy_per_atom": -7.170726843815789,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -520.24324013,
            "band_gap": 4.9362,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.643000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-29380",
            "created_at": "2022-09-04T14:39:07.288410Z",
            "structure_string": "K16 Te16 As8\n1.0\n8.367508 0.000000 0.000000\n0.000000 9.222823 0.000000\n0.000000 0.000000 20.493696\nK Te As\n16 16 8\ndirect\n0.250000 0.419596 0.543421 K\n0.750000 0.580404 0.456579 K\n0.750000 0.919596 0.956579 K\n0.250000 0.080404 0.043421 K\n0.250000 0.498462 0.188204 K\n0.750000 0.501538 0.811796 K\n0.750000 0.998462 0.311796 K\n0.250000 0.001538 0.688204 K\n0.250000 0.603759 0.716436 K\n0.750000 0.396241 0.283564 K\n0.750000 0.103759 0.783564 K\n0.250000 0.896241 0.216436 K\n0.250000 0.925247 0.442562 K\n0.750000 0.074753 0.557438 K\n0.750000 0.425247 0.057438 K\n0.250000 0.574753 0.942562 K\n0.996713 0.238959 0.417982 Te\n0.496713 0.761041 0.582018 Te\n0.003287 0.738959 0.082018 Te\n0.503287 0.261041 0.917982 Te\n0.003287 0.761041 0.582018 Te\n0.503287 0.238959 0.417982 Te\n0.996713 0.261041 0.917982 Te\n0.496713 0.738959 0.082018 Te\n0.991970 0.180869 0.179146 Te\n0.491970 0.819131 0.820854 Te\n0.008030 0.680869 0.320854 Te\n0.508030 0.319131 0.679146 Te\n0.008030 0.819131 0.820854 Te\n0.508030 0.180869 0.179146 Te\n0.991970 0.319131 0.679146 Te\n0.491970 0.680869 0.320854 Te\n0.250000 0.312523 0.348967 As\n0.750000 0.687477 0.651033 As\n0.750000 0.812523 0.151033 As\n0.250000 0.187477 0.848967 As\n0.250000 0.573028 0.386786 As\n0.750000 0.426972 0.613214 As\n0.750000 0.073028 0.113214 As\n0.250000 0.926972 0.886786 As\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "K",
                "Te",
                "As"
            ],
            "chemical_system": "As-K-Te",
            "density": 3.4297109719494943,
            "density_atomic": 0.025291797238445306,
            "volume": 1581.5404347460603,
            "volume_molar": 23.810647789180923,
            "formula_full": "K16 Te16 As8",
            "formula_reduced": "K2Te2As",
            "formula_anonymous": "AB2C2",
            "energy": -139.50940577,
            "energy_per_atom": -3.48773514425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -132.75740577,
            "band_gap": 0.9604,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0362141,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.242000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1019513",
            "created_at": "2022-09-04T14:39:07.214092Z",
            "structure_string": "Al6 P6 O24\n1.0\n4.947163 0.000000 0.000000\n0.000000 8.889131 0.000000\n0.000000 0.032176 11.021192\nAl P O\n6 6 24\ndirect\n0.465104 0.750000 0.500000 Al\n0.534896 0.250000 0.500000 Al\n0.750136 0.513116 0.834047 Al\n0.750136 0.986884 0.165953 Al\n0.249864 0.486884 0.165953 Al\n0.249864 0.013116 0.834047 Al\n0.032822 0.750000 0.000000 P\n0.967178 0.250000 0.000000 P\n0.755000 0.513166 0.333199 P\n0.755000 0.986834 0.666801 P\n0.245000 0.486834 0.666801 P\n0.245000 0.013166 0.333199 P\n0.052088 0.527831 0.294188 O\n0.052088 0.972169 0.705812 O\n0.947912 0.472169 0.705812 O\n0.947912 0.027831 0.294188 O\n0.583373 0.476249 0.219739 O\n0.583373 0.023751 0.780261 O\n0.416627 0.523751 0.780261 O\n0.416627 0.976249 0.219739 O\n0.850715 0.683093 0.900303 O\n0.850715 0.816907 0.099697 O\n0.149285 0.316907 0.099697 O\n0.149285 0.183093 0.900303 O\n0.665738 0.663643 0.388842 O\n0.665738 0.836357 0.611158 O\n0.334262 0.336357 0.611158 O\n0.334262 0.163643 0.388842 O\n0.783649 0.371592 0.944204 O\n0.783649 0.128408 0.055796 O\n0.216351 0.628408 0.055796 O\n0.216351 0.871592 0.944204 O\n0.733433 0.386177 0.427700 O\n0.733433 0.113823 0.572300 O\n0.266567 0.613823 0.572300 O\n0.266567 0.886177 0.427700 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 2.5069656740919326,
            "density_atomic": 0.07427769294937396,
            "volume": 484.6677188067326,
            "volume_molar": 8.107603401339563,
            "formula_full": "Al6 P6 O24",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -285.60699081,
            "energy_per_atom": -7.9335275225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -269.11899081,
            "band_gap": 5.6414,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.298000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-863030",
            "created_at": "2022-09-04T14:39:07.351017Z",
            "structure_string": "B2 P8 S6 Br6\n1.0\n11.133402 0.000000 0.000000\n0.000000 6.732695 0.000000\n0.000000 3.010336 8.528536\nB P S Br\n2 8 6 6\ndirect\n0.750000 0.678258 0.721136 B\n0.250000 0.321742 0.278864 B\n0.352350 0.057307 0.860454 P\n0.852350 0.942693 0.139546 P\n0.647650 0.942693 0.139546 P\n0.147650 0.057307 0.860454 P\n0.750000 0.746879 0.486346 P\n0.250000 0.253121 0.513654 P\n0.750000 0.638462 0.170950 P\n0.250000 0.361538 0.829050 P\n0.750000 0.482169 0.414852 S\n0.250000 0.517831 0.585148 S\n0.398003 0.078097 0.629846 S\n0.898003 0.921903 0.370154 S\n0.601997 0.921903 0.370154 S\n0.101997 0.078097 0.629846 S\n0.750000 0.958150 0.759316 Br\n0.250000 0.041850 0.240684 Br\n0.400640 0.486178 0.202161 Br\n0.900640 0.513822 0.797839 Br\n0.599360 0.513822 0.797839 Br\n0.099360 0.486178 0.202161 Br\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "B",
                "P",
                "S",
                "Br"
            ],
            "chemical_system": "B-Br-P-S",
            "density": 2.4448472973080677,
            "density_atomic": 0.034413699517317806,
            "volume": 639.2802955964984,
            "volume_molar": 17.499254205347825,
            "formula_full": "B2 P8 S6 Br6",
            "formula_reduced": "BP4(SBr)3",
            "formula_anonymous": "AB3C3D4",
            "energy": -103.93761039,
            "energy_per_atom": -4.724436835909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.71561039,
            "band_gap": 2.6382,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018081,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.514000Z",
            "spacegroup": 11
        }
    ]
}