GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=110
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=-energy_above_hull&page=111",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=109",
    "results": [
        {
            "id": "mp-557912",
            "created_at": "2022-09-04T14:39:35.145883Z",
            "structure_string": "Cs2 Mn1 F6\n1.0\n0.000000 4.574895 4.574895\n4.574895 0.000000 4.574895\n4.574895 4.574895 0.000000\nCs Mn F\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Mn\n0.797555 0.797555 0.202445 F\n0.797555 0.202445 0.797555 F\n0.202445 0.797555 0.202445 F\n0.202445 0.202445 0.797555 F\n0.202445 0.797555 0.797555 F\n0.797555 0.202445 0.202445 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Cs",
                "Mn",
                "F"
            ],
            "chemical_system": "Cs-F-Mn",
            "density": 3.7696816788463274,
            "density_atomic": 0.04699689016529504,
            "volume": 191.5020327588839,
            "volume_molar": 12.813913301112558,
            "formula_full": "Cs2 Mn1 F6",
            "formula_reduced": "Cs2MnF6",
            "formula_anonymous": "AB2C6",
            "energy": -48.64452643,
            "energy_per_atom": -5.404947381111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.20452643,
            "band_gap": 3.3832,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9999252,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.549000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-977011",
            "created_at": "2022-09-04T14:39:35.177351Z",
            "structure_string": "H3 Pb1 C1 I3 N1 F3\n1.0\n6.476631 0.000000 0.000000\n0.000000 6.467177 0.000000\n0.000000 0.132190 6.557812\nH Pb C I N F\n3 1 1 3 1 3\ndirect\n0.000000 0.178972 0.185795 H\n0.866103 0.217842 0.966551 H\n0.133897 0.217842 0.966551 H\n0.500000 0.474561 0.475304 Pb\n0.000000 0.922172 0.987661 C\n0.500000 0.950676 0.503971 I\n0.500000 0.391776 0.970906 I\n0.000000 0.407726 0.491930 I\n0.000000 0.147397 0.027851 N\n0.829724 0.836886 0.068455 F\n0.000000 0.894169 0.786174 F\n0.170276 0.836886 0.068455 F\n",
            "nsites": 12,
            "nelements": 6,
            "elements": [
                "H",
                "Pb",
                "C",
                "I",
                "N",
                "F"
            ],
            "chemical_system": "C-F-H-I-N-Pb",
            "density": 4.0743075441851335,
            "density_atomic": 0.043687619637071747,
            "volume": 274.6773593912457,
            "volume_molar": 13.784547681993246,
            "formula_full": "H3 Pb1 C1 I3 N1 F3",
            "formula_reduced": "H3PbCI3NF3",
            "formula_anonymous": "ABCD3E3F3",
            "energy": -54.53962754999999,
            "energy_per_atom": -4.5449689625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.65562755,
            "band_gap": 1.8543,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018418,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.321000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-760111",
            "created_at": "2022-09-04T14:39:35.183549Z",
            "structure_string": "Li8 V6 P16 O58\n1.0\n9.743857 0.000000 0.000000\n4.866480 8.455920 0.000000\n0.113660 0.056080 14.196200\nLi V P O\n8 6 16 58\ndirect\n0.762008 0.336887 0.446976 Li\n0.766662 0.899143 0.945180 Li\n0.330137 0.765873 0.941318 Li\n0.326398 0.909908 0.437492 Li\n0.675190 0.231973 0.056832 Li\n0.230145 0.670937 0.557123 Li\n0.025012 0.023097 0.999635 Li\n0.944888 0.013736 0.507353 Li\n0.565560 0.998577 0.743792 V\n0.434012 0.003489 0.253926 V\n0.565047 0.435136 0.248635 V\n0.433960 0.564192 0.752730 V\n0.000868 0.434528 0.753177 V\n0.999294 0.563525 0.246668 V\n0.918638 0.302935 0.154547 P\n0.776707 0.313317 0.661371 P\n0.919349 0.775985 0.658806 P\n0.666261 0.671533 0.868187 P\n0.667558 0.661704 0.367919 P\n0.774242 0.913998 0.160032 P\n0.695378 0.085249 0.342171 P\n0.314032 0.778588 0.158895 P\n0.686523 0.220689 0.841527 P\n0.312281 0.911799 0.653707 P\n0.221003 0.084149 0.835741 P\n0.329462 0.336287 0.632571 P\n0.335199 0.333304 0.133088 P\n0.078942 0.224866 0.341123 P\n0.221883 0.685477 0.337877 P\n0.081954 0.694275 0.844541 P\n0.986025 0.218653 0.423011 O\n0.916644 0.345277 0.671611 O\n0.770647 0.208795 0.931141 O\n0.741162 0.341947 0.162015 O\n0.924649 0.458196 0.165956 O\n0.811074 0.524893 0.821079 O\n0.925194 0.616224 0.669722 O\n0.992692 0.793224 0.926774 O\n0.917062 0.742810 0.167423 O\n0.670060 0.510714 0.322338 O\n0.619611 0.467974 0.674895 O\n0.809639 0.664222 0.316955 O\n0.673601 0.678333 0.972672 O\n0.679374 0.636902 0.471765 O\n0.671394 0.817954 0.823222 O\n0.470513 0.619028 0.173973 O\n0.512450 0.675251 0.832769 O\n0.743777 0.913184 0.664729 O\n0.794982 0.008639 0.246105 O\n0.795870 0.007972 0.424712 O\n0.778898 0.994736 0.070378 O\n0.620258 0.911212 0.174645 O\n0.511736 0.811426 0.336404 O\n0.656495 0.078580 0.834620 O\n0.471997 0.907952 0.671816 O\n0.338436 0.741429 0.663632 O\n0.795416 0.201529 0.751122 O\n0.789099 0.228322 0.571943 O\n0.226293 0.767617 0.426545 O\n0.655223 0.262345 0.336631 O\n0.541228 0.077195 0.332647 O\n0.347088 0.915835 0.172490 O\n0.478636 0.186237 0.678238 O\n0.382942 0.075921 0.826159 O\n0.206145 0.992853 0.916520 O\n0.238496 0.982882 0.561530 O\n0.197417 0.010135 0.739078 O\n0.252255 0.085794 0.341975 O\n0.489772 0.329206 0.175463 O\n0.528877 0.378712 0.827744 O\n0.332125 0.191376 0.179140 O\n0.346680 0.338212 0.029214 O\n0.329348 0.330650 0.528282 O\n0.186083 0.333756 0.682366 O\n0.380616 0.528489 0.323195 O\n0.326391 0.487433 0.670249 O\n0.085346 0.258306 0.835575 O\n0.002767 0.199310 0.246744 O\n0.992037 0.205125 0.069885 O\n0.078221 0.383031 0.325917 O\n0.188451 0.482471 0.178391 O\n0.079803 0.537804 0.831118 O\n0.255576 0.660548 0.841777 O\n0.235026 0.787941 0.067952 O\n0.201147 0.794394 0.247395 O\n0.082491 0.654230 0.334661 O\n0.001976 0.796139 0.574790 O\n0.003117 0.797453 0.750162 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.5337040967347817,
            "density_atomic": 0.0752348043246753,
            "volume": 1169.671414578771,
            "volume_molar": 8.004461251751904,
            "formula_full": "Li8 V6 P16 O58",
            "formula_reduced": "Li4V3P8O29",
            "formula_anonymous": "A3B4C8D29",
            "energy": -670.16314229,
            "energy_per_atom": -7.615490253295454,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -620.11714229,
            "band_gap": 0.9650999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0335735,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.326000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1019744",
            "created_at": "2022-09-04T14:39:35.199430Z",
            "structure_string": "K4 Al4 Si6 O20\n1.0\n0.000000 8.647621 9.275398\n3.327013 0.000000 9.275398\n3.327013 8.647621 0.000000\nK Al Si O\n4 4 6 20\ndirect\n0.967506 0.157633 0.614810 K\n0.260052 0.614810 0.157633 K\n0.635190 0.989948 0.282494 K\n0.092367 0.282494 0.989948 K\n0.573849 0.730526 0.996575 Al\n0.699050 0.996575 0.730526 Al\n0.253425 0.550950 0.676151 Al\n0.519474 0.676151 0.550950 Al\n0.255189 0.244811 0.244811 Si\n0.005189 0.994811 0.994811 Si\n0.551797 0.504831 0.236794 Si\n0.706579 0.236794 0.504831 Si\n0.013206 0.543421 0.698203 Si\n0.745169 0.698203 0.543421 Si\n0.343803 0.017659 0.213055 O\n0.425483 0.213055 0.017659 O\n0.036945 0.824517 0.906197 O\n0.232341 0.906197 0.824517 O\n0.507736 0.608579 0.102390 O\n0.781295 0.102390 0.608579 O\n0.147610 0.468705 0.742264 O\n0.641421 0.742264 0.468705 O\n0.835865 0.559373 0.875815 O\n0.728946 0.875815 0.559373 O\n0.374185 0.521054 0.414135 O\n0.690627 0.414135 0.521054 O\n0.529973 0.640167 0.360042 O\n0.469818 0.360042 0.640167 O\n0.889958 0.780182 0.720027 O\n0.609833 0.720027 0.780182 O\n0.816633 0.234270 0.035971 O\n0.913127 0.035971 0.234270 O\n0.214029 0.336873 0.433367 O\n0.015730 0.433367 0.336873 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "K",
                "Al",
                "Si",
                "O"
            ],
            "chemical_system": "Al-K-O-Si",
            "density": 2.3422149860367654,
            "density_atomic": 0.06370378282016272,
            "volume": 533.720267381653,
            "volume_molar": 9.453348754815151,
            "formula_full": "K4 Al4 Si6 O20",
            "formula_reduced": "K2Al2Si3O10",
            "formula_anonymous": "A2B2C3D10",
            "energy": -259.49857178,
            "energy_per_atom": -7.632310934705883,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -245.75857178,
            "band_gap": 4.5998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004164,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.192000Z",
            "spacegroup": 43
        },
        {
            "id": "mp-1046095",
            "created_at": "2022-09-04T14:39:35.308250Z",
            "structure_string": "Ni10 O14\n1.0\n2.906902 0.000000 0.000000\n-1.453451 4.916943 0.000000\n0.000000 0.000000 16.978271\nNi O\n10 14\ndirect\n0.268522 0.537042 0.579075 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.731478 0.462957 0.420925 Ni\n0.731478 0.462957 0.079075 Ni\n0.268522 0.537042 0.920925 Ni\n0.467396 0.934791 0.153977 Ni\n0.532604 0.065208 0.846024 Ni\n0.532604 0.065208 0.653976 Ni\n0.467396 0.934791 0.346024 Ni\n0.638908 0.277817 0.965423 O\n0.361093 0.722184 0.034577 O\n0.361093 0.722184 0.465423 O\n0.638908 0.277817 0.534577 O\n0.155014 0.310030 0.825580 O\n0.844986 0.689970 0.174420 O\n0.844986 0.689970 0.325581 O\n0.155014 0.310030 0.674420 O\n0.912196 0.824389 0.893800 O\n0.087804 0.175611 0.106200 O\n0.087804 0.175611 0.393800 O\n0.912196 0.824389 0.606200 O\n0.439969 0.879938 0.750000 O\n0.560032 0.120064 0.250000 O\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Ni",
                "O"
            ],
            "chemical_system": "Ni-O",
            "density": 5.548953462447889,
            "density_atomic": 0.09889907187470302,
            "volume": 242.67164034062952,
            "volume_molar": 6.089178235797356,
            "formula_full": "Ni10 O14",
            "formula_reduced": "Ni5O7",
            "formula_anonymous": "A5B7",
            "energy": -146.88358279,
            "energy_per_atom": -6.120149282916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.85558279,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.7910543,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.731000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1891",
            "created_at": "2022-09-04T14:39:35.309217Z",
            "structure_string": "Sm1 Al4\n1.0\n-2.115523 2.115523 5.714998\n2.115523 -2.115523 5.714998\n2.115523 2.115523 -5.714998\nSm Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.389978 0.389978 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.610022 0.610022 0.000000 Al\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Sm",
                "Al"
            ],
            "chemical_system": "Al-Sm",
            "density": 4.192167693876621,
            "density_atomic": 0.048871810433316086,
            "volume": 102.30846689877244,
            "volume_molar": 12.322319772084164,
            "formula_full": "Sm1 Al4",
            "formula_reduced": "SmAl4",
            "formula_anonymous": "AB4",
            "energy": -21.12207764,
            "energy_per_atom": -4.224415528,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.12207764,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0036816,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:31.423000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1517216",
            "created_at": "2022-09-04T14:39:35.369162Z",
            "structure_string": "Sr1 Ca1 Pr1 Sb1 O6\n1.0\n0.000000 -4.284449 -4.284449\n4.284449 0.000000 -4.284449\n4.284449 -4.284449 0.000000\nSr Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.732174 0.267826 0.267826 O\n0.267826 0.732174 0.732174 O\n0.732174 0.267826 0.732174 O\n0.267826 0.732174 0.267826 O\n0.732174 0.732174 0.267826 O\n0.267826 0.267826 0.732174 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Pr",
                "Sb",
                "O"
            ],
            "chemical_system": "Ca-O-Pr-Sb-Sr",
            "density": 5.134449059364038,
            "density_atomic": 0.06357481010540451,
            "volume": 157.2950038453972,
            "volume_molar": 9.472526540017231,
            "formula_full": "Sr1 Ca1 Pr1 Sb1 O6",
            "formula_reduced": "SrCaPrSbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -70.76543144,
            "energy_per_atom": -7.076543144,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.64343144,
            "band_gap": 3.0684000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.717000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-560328",
            "created_at": "2022-09-04T14:39:35.168249Z",
            "structure_string": "Ag30 P8 S32 Cl6\n1.0\n-7.532586 7.532586 7.532586\n7.532586 -7.532586 7.532586\n7.532586 7.532586 -7.532586\nAg P S Cl\n30 8 32 6\ndirect\n0.781653 0.587974 0.627019 Ag\n0.125000 0.750000 0.875000 Ag\n0.154634 0.872981 0.460955 Ag\n0.693680 0.039045 0.912026 Ag\n0.193680 0.412026 0.539045 Ag\n0.960955 0.372981 0.654634 Ag\n0.460955 0.154634 0.872981 Ag\n0.087974 0.281653 0.127019 Ag\n0.912026 0.693680 0.039045 Ag\n0.806320 0.718347 0.345366 Ag\n0.539045 0.193680 0.412026 Ag\n0.750000 0.875000 0.125000 Ag\n0.587974 0.627019 0.781653 Ag\n0.218347 0.306320 0.845366 Ag\n0.039045 0.912026 0.693680 Ag\n0.127019 0.087974 0.281653 Ag\n0.654634 0.960955 0.372981 Ag\n0.372981 0.654634 0.960955 Ag\n0.875000 0.125000 0.750000 Ag\n0.375000 0.250000 0.625000 Ag\n0.845366 0.218347 0.306320 Ag\n0.345366 0.806320 0.718347 Ag\n0.872981 0.460955 0.154634 Ag\n0.281653 0.127019 0.087974 Ag\n0.627019 0.781653 0.587974 Ag\n0.718347 0.345366 0.806320 Ag\n0.625000 0.375000 0.250000 Ag\n0.412026 0.539045 0.193680 Ag\n0.306320 0.845366 0.218347 Ag\n0.250000 0.625000 0.375000 Ag\n0.399730 0.399730 0.399730 P\n0.500000 0.000000 0.100270 P\n0.600270 0.500000 0.000000 P\n0.100270 0.500000 0.000000 P\n0.000000 0.600270 0.500000 P\n0.000000 0.100270 0.500000 P\n0.899730 0.899730 0.899730 P\n0.500000 0.000000 0.600270 P\n0.322099 0.947578 0.081707 S\n0.081707 0.322099 0.947578 S\n0.500000 0.000000 0.443038 S\n0.677901 0.125479 0.759609 S\n0.374521 0.052422 0.634129 S\n0.500000 0.000000 0.943038 S\n0.056962 0.056962 0.056962 S\n0.625479 0.177901 0.259609 S\n0.943038 0.500000 0.000000 S\n0.418293 0.365871 0.240391 S\n0.552422 0.874521 0.134129 S\n0.447578 0.822099 0.581707 S\n0.000000 0.943038 0.500000 S\n0.759609 0.677901 0.125479 S\n0.365871 0.240391 0.418293 S\n0.822099 0.581707 0.447578 S\n0.947578 0.081707 0.322099 S\n0.865871 0.918293 0.740391 S\n0.918293 0.740391 0.865871 S\n0.125479 0.759609 0.677901 S\n0.000000 0.443038 0.500000 S\n0.443038 0.500000 0.000000 S\n0.634129 0.374521 0.052422 S\n0.581707 0.447578 0.822099 S\n0.240391 0.418293 0.365871 S\n0.556962 0.556962 0.556962 S\n0.259609 0.625479 0.177901 S\n0.052422 0.634129 0.374521 S\n0.177901 0.259609 0.625479 S\n0.874521 0.134129 0.552422 S\n0.740391 0.865871 0.918293 S\n0.134129 0.552422 0.874521 S\n0.125000 0.875000 0.250000 Cl\n0.625000 0.750000 0.375000 Cl\n0.750000 0.375000 0.625000 Cl\n0.250000 0.125000 0.875000 Cl\n0.375000 0.625000 0.750000 Cl\n0.875000 0.250000 0.125000 Cl\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Ag",
                "P",
                "S",
                "Cl"
            ],
            "chemical_system": "Ag-Cl-P-S",
            "density": 4.58713063268096,
            "density_atomic": 0.04445507064472103,
            "volume": 1709.5912546710772,
            "volume_molar": 13.546577865387151,
            "formula_full": "Ag30 P8 S32 Cl6",
            "formula_reduced": "Ag15P4S16Cl3",
            "formula_anonymous": "A3B4C15D16",
            "energy": -308.72831051,
            "energy_per_atom": -4.062214611973684,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -288.94831051,
            "band_gap": 1.2258,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0937693,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:39.287000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-1196847",
            "created_at": "2022-09-04T14:39:35.176524Z",
            "structure_string": "Mg20 Nb4 B12 O48\n1.0\n9.432984 0.000000 0.000000\n0.000000 9.473180 0.000000\n0.000000 0.000000 9.566238\nMg Nb B O\n20 4 12 48\ndirect\n0.427346 0.625427 0.584273 Mg\n0.072654 0.125427 0.915727 Mg\n0.572654 0.374573 0.084273 Mg\n0.927346 0.874573 0.415727 Mg\n0.572654 0.374573 0.415727 Mg\n0.927346 0.874573 0.084273 Mg\n0.427346 0.625427 0.915727 Mg\n0.072654 0.125427 0.584273 Mg\n0.321245 0.901712 0.075956 Mg\n0.178755 0.401712 0.424044 Mg\n0.678755 0.098288 0.575956 Mg\n0.821245 0.598288 0.924044 Mg\n0.678755 0.098288 0.924044 Mg\n0.821245 0.598288 0.575956 Mg\n0.321245 0.901712 0.424044 Mg\n0.178755 0.401712 0.075956 Mg\n0.808605 0.601494 0.250000 Mg\n0.691395 0.101494 0.250000 Mg\n0.191395 0.398506 0.750000 Mg\n0.308605 0.898506 0.750000 Mg\n0.412653 0.597563 0.250000 Nb\n0.087347 0.097563 0.250000 Nb\n0.587347 0.402437 0.750000 Nb\n0.912653 0.902437 0.750000 Nb\n0.129380 0.678198 0.250000 B\n0.370620 0.178198 0.250000 B\n0.870620 0.321802 0.750000 B\n0.629380 0.821802 0.750000 B\n0.126529 0.673116 0.588509 B\n0.373471 0.173116 0.911491 B\n0.873471 0.326884 0.088509 B\n0.626529 0.826884 0.411491 B\n0.873471 0.326884 0.411491 B\n0.626529 0.826884 0.088509 B\n0.126529 0.673116 0.911491 B\n0.373471 0.173116 0.588509 B\n0.159895 0.535927 0.250000 O\n0.340105 0.035927 0.250000 O\n0.840105 0.464073 0.750000 O\n0.659895 0.964073 0.750000 O\n0.997150 0.735936 0.250000 O\n0.502850 0.235936 0.250000 O\n0.002850 0.264064 0.750000 O\n0.497150 0.764064 0.750000 O\n0.254572 0.761479 0.250000 O\n0.245428 0.261479 0.250000 O\n0.745428 0.238521 0.750000 O\n0.754572 0.738521 0.750000 O\n0.130521 0.528913 0.588270 O\n0.369479 0.028913 0.911730 O\n0.869479 0.471087 0.088270 O\n0.630521 0.971087 0.411730 O\n0.869479 0.471087 0.411730 O\n0.630521 0.971087 0.088270 O\n0.130521 0.528913 0.911730 O\n0.369479 0.028913 0.588270 O\n0.250755 0.752503 0.583527 O\n0.249245 0.252503 0.916473 O\n0.749245 0.247497 0.083527 O\n0.750755 0.747497 0.416473 O\n0.749245 0.247497 0.416473 O\n0.750755 0.747497 0.083527 O\n0.250755 0.752503 0.916473 O\n0.249245 0.252503 0.583527 O\n0.493012 0.758631 0.091679 O\n0.006988 0.258631 0.408321 O\n0.506988 0.241369 0.591679 O\n0.993012 0.741369 0.908321 O\n0.506988 0.241369 0.908321 O\n0.993012 0.741369 0.591679 O\n0.493012 0.758631 0.408321 O\n0.006988 0.258631 0.091679 O\n0.895874 0.020115 0.250000 O\n0.604126 0.520115 0.250000 O\n0.104126 0.979885 0.750000 O\n0.395874 0.479885 0.750000 O\n0.119110 0.990805 0.083346 O\n0.380890 0.490805 0.416654 O\n0.880890 0.009195 0.583346 O\n0.619110 0.509195 0.916654 O\n0.880890 0.009195 0.916654 O\n0.619110 0.509195 0.583346 O\n0.119110 0.990805 0.416654 O\n0.380890 0.490805 0.083346 O\n",
            "nsites": 84,
            "nelements": 4,
            "elements": [
                "Mg",
                "Nb",
                "B",
                "O"
            ],
            "chemical_system": "B-Mg-Nb-O",
            "density": 3.4099360014830196,
            "density_atomic": 0.09826372361117461,
            "volume": 854.8424272255796,
            "volume_molar": 6.128549314729162,
            "formula_full": "Mg20 Nb4 B12 O48",
            "formula_reduced": "Mg5Nb(BO4)3",
            "formula_anonymous": "AB3C5D12",
            "energy": -647.04093755,
            "energy_per_atom": -7.702868304166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -614.06493755,
            "band_gap": 3.0182,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0082788,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.550000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-559879",
            "created_at": "2022-09-04T14:39:35.179425Z",
            "structure_string": "P4 S8 N4 Cl24 O16\n1.0\n10.713016 0.000000 0.000000\n0.000000 10.915037 0.000000\n0.000000 0.000000 11.110047\nP S N Cl O\n4 8 4 24 16\ndirect\n0.640106 0.945708 0.750000 P\n0.140106 0.554292 0.250000 P\n0.859894 0.445708 0.750000 P\n0.359894 0.054292 0.250000 P\n0.702091 0.601783 0.377086 S\n0.702091 0.601783 0.122914 S\n0.297909 0.398217 0.622914 S\n0.202091 0.898217 0.877086 S\n0.202091 0.898217 0.622914 S\n0.797909 0.101783 0.122914 S\n0.297909 0.398217 0.877086 S\n0.797909 0.101783 0.377086 S\n0.271200 0.905955 0.750000 N\n0.728800 0.094045 0.250000 N\n0.228800 0.405955 0.750000 N\n0.771200 0.594045 0.250000 N\n0.820249 0.978403 0.750000 Cl\n0.401595 0.150457 0.392950 Cl\n0.320249 0.521597 0.250000 Cl\n0.548419 0.100477 0.750000 Cl\n0.048419 0.399523 0.250000 Cl\n0.869031 0.924502 0.405786 Cl\n0.901595 0.349543 0.607050 Cl\n0.130969 0.075498 0.594214 Cl\n0.598405 0.849543 0.607050 Cl\n0.369031 0.575498 0.594214 Cl\n0.451581 0.899523 0.250000 Cl\n0.098405 0.650457 0.392950 Cl\n0.951581 0.600477 0.750000 Cl\n0.630969 0.424502 0.094214 Cl\n0.630969 0.424502 0.405786 Cl\n0.679751 0.478403 0.750000 Cl\n0.369031 0.575498 0.905786 Cl\n0.869031 0.924502 0.094214 Cl\n0.098405 0.650457 0.107050 Cl\n0.598405 0.849543 0.892950 Cl\n0.130969 0.075498 0.905786 Cl\n0.901595 0.349543 0.892950 Cl\n0.401595 0.150457 0.107050 Cl\n0.179751 0.021597 0.250000 Cl\n0.093824 0.819313 0.883236 O\n0.702445 0.114278 0.032090 O\n0.406176 0.319313 0.616764 O\n0.593824 0.680687 0.383236 O\n0.297555 0.885722 0.967910 O\n0.202445 0.385722 0.967910 O\n0.202445 0.385722 0.532090 O\n0.702445 0.114278 0.467910 O\n0.906176 0.180687 0.383236 O\n0.906176 0.180687 0.116764 O\n0.797555 0.614278 0.032090 O\n0.797555 0.614278 0.467910 O\n0.297555 0.885722 0.532090 O\n0.406176 0.319313 0.883236 O\n0.593824 0.680687 0.116764 O\n0.093824 0.819313 0.616764 O\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "P",
                "S",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-N-O-P-S",
            "density": 1.9726397814153738,
            "density_atomic": 0.04310574595448155,
            "volume": 1299.1307483492901,
            "volume_molar": 13.970621843220648,
            "formula_full": "P4 S8 N4 Cl24 O16",
            "formula_reduced": "PS2N(Cl3O2)2",
            "formula_anonymous": "ABC2D4E6",
            "energy": -275.2193137,
            "energy_per_atom": -4.914630601785714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -248.0473137,
            "band_gap": 2.6486,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.28e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.268000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-560394",
            "created_at": "2022-09-04T14:39:35.182760Z",
            "structure_string": "As8 Pb8 Cl8 O16\n1.0\n7.149677 0.000000 0.000000\n0.000000 10.089994 0.000000\n0.000000 0.000000 11.673175\nAs Pb Cl O\n8 8 8 16\ndirect\n0.918860 0.881704 0.465440 As\n0.581140 0.118296 0.965440 As\n0.699501 0.807832 0.697568 As\n0.081140 0.381704 0.034560 As\n0.300499 0.307832 0.802432 As\n0.199501 0.692168 0.302432 As\n0.800499 0.192168 0.197568 As\n0.418860 0.618296 0.534560 As\n0.930643 0.496569 0.493413 Pb\n0.069357 0.996569 0.006587 Pb\n0.430643 0.003431 0.506587 Pb\n0.165434 0.664886 0.784671 Pb\n0.834566 0.164886 0.715329 Pb\n0.569357 0.503431 0.993413 Pb\n0.334566 0.335114 0.284671 Pb\n0.665434 0.835114 0.215329 Pb\n0.061863 0.233690 0.467686 Cl\n0.561863 0.266310 0.532314 Cl\n0.349767 0.016351 0.239489 Cl\n0.438137 0.766310 0.967686 Cl\n0.650233 0.516351 0.260511 Cl\n0.938137 0.733690 0.032314 Cl\n0.150233 0.983649 0.739489 Cl\n0.849767 0.483649 0.760511 Cl\n0.032982 0.254708 0.147446 O\n0.532982 0.245292 0.852554 O\n0.164925 0.254054 0.930198 O\n0.335075 0.745946 0.430198 O\n0.161151 0.524641 0.344769 O\n0.967018 0.754708 0.352554 O\n0.796749 0.071813 0.903065 O\n0.838849 0.024641 0.155231 O\n0.338849 0.475359 0.844769 O\n0.664925 0.245946 0.069802 O\n0.661151 0.975359 0.655231 O\n0.703251 0.928187 0.403065 O\n0.835075 0.754054 0.569802 O\n0.296749 0.428187 0.096935 O\n0.467018 0.745292 0.647446 O\n0.203251 0.571813 0.596935 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "As",
                "Pb",
                "Cl",
                "O"
            ],
            "chemical_system": "As-Cl-O-Pb",
            "density": 5.514563430440607,
            "density_atomic": 0.047500006035267966,
            "volume": 842.1051561614679,
            "volume_molar": 12.678189462815354,
            "formula_full": "As8 Pb8 Cl8 O16",
            "formula_reduced": "AsPbClO2",
            "formula_anonymous": "ABCD2",
            "energy": -226.42917387,
            "energy_per_atom": -5.66072934675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -210.52517387,
            "band_gap": 3.36,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 9.7e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.792000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1271068",
            "created_at": "2022-09-04T14:39:35.204718Z",
            "structure_string": "Fe4\n1.0\n2.293357 0.088731 -0.865052\n-1.069886 2.030382 -0.865198\n2.269413 3.930027 6.418011\nFe\n4\ndirect\n0.999963 0.000038 0.499809 Fe\n0.500037 0.499962 0.750186 Fe\n0.999965 0.000036 0.999873 Fe\n0.500034 0.499965 0.250132 Fe\n",
            "nsites": 4,
            "nelements": 1,
            "elements": [
                "Fe"
            ],
            "chemical_system": "Fe",
            "density": 8.109373819647873,
            "density_atomic": 0.08744881481646513,
            "volume": 45.741043013505404,
            "volume_molar": 6.886474988413603,
            "formula_full": "Fe4",
            "formula_reduced": "Fe",
            "formula_anonymous": "A",
            "energy": -33.81180542,
            "energy_per_atom": -8.452951355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.81180542,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.8097568,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.447000Z",
            "spacegroup": 139
        }
    ]
}