GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12115
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_gap_direct&page=12116",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12114",
    "results": [
        {
            "id": "mp-760202",
            "created_at": "2022-09-04T14:41:51.356133Z",
            "structure_string": "Li4 V4 F24\n1.0\n5.002408 0.000000 0.000000\n0.000000 8.694187 0.000000\n0.000000 0.000000 9.693813\nLi V F\n4 4 24\ndirect\n0.014668 0.875881 0.119119 Li\n0.514668 0.375881 0.380881 Li\n0.014668 0.624119 0.619119 Li\n0.514668 0.124119 0.880881 Li\n0.000126 0.247350 0.128619 V\n0.500126 0.747350 0.371381 V\n0.000126 0.252650 0.628619 V\n0.500126 0.752650 0.871381 V\n0.829252 0.104588 0.015259 F\n0.291182 0.243034 0.015041 F\n0.855497 0.396576 0.031878 F\n0.129876 0.074464 0.215309 F\n0.178274 0.370623 0.246456 F\n0.715438 0.245069 0.246026 F\n0.215438 0.745069 0.253974 F\n0.678274 0.870623 0.253544 F\n0.629876 0.574464 0.284691 F\n0.355497 0.896576 0.468122 F\n0.791182 0.743034 0.484959 F\n0.329252 0.604588 0.484741 F\n0.829252 0.395412 0.515259 F\n0.291182 0.256966 0.515041 F\n0.855497 0.103424 0.531878 F\n0.129876 0.425536 0.715309 F\n0.178274 0.129377 0.746456 F\n0.715438 0.254931 0.746026 F\n0.215438 0.754931 0.753974 F\n0.678274 0.629377 0.753544 F\n0.629876 0.925536 0.784691 F\n0.355497 0.603424 0.968122 F\n0.791182 0.756966 0.984959 F\n0.329252 0.895412 0.984741 F\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Li",
                "V",
                "F"
            ],
            "chemical_system": "F-Li-V",
            "density": 2.7077827502997986,
            "density_atomic": 0.07590095729492002,
            "volume": 421.60206063885477,
            "volume_molar": 7.934209230853872,
            "formula_full": "Li4 V4 F24",
            "formula_reduced": "LiVF6",
            "formula_anonymous": "ABC6",
            "energy": -184.22366413,
            "energy_per_atom": -5.7569895040625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -166.33566413,
            "band_gap": 2.9357,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:31.337000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-1101229",
            "created_at": "2022-09-04T14:41:48.286488Z",
            "structure_string": "V4 F18\n1.0\n2.601779 -4.506413 0.000000\n2.601779 4.506413 0.000000\n0.000000 0.000000 14.469563\nV F\n4 18\ndirect\n0.000000 0.000000 0.350936 V\n0.000000 0.000000 0.149064 V\n0.000000 0.000000 0.649064 V\n0.000000 0.000000 0.850936 V\n0.000000 0.702676 0.593156 F\n0.297324 0.000000 0.093156 F\n0.000000 0.297324 0.093156 F\n0.297324 0.297324 0.593156 F\n0.264146 0.264146 0.250000 F\n0.702676 0.000000 0.593156 F\n0.297324 0.297324 0.906844 F\n0.702676 0.702676 0.093156 F\n0.264146 0.000000 0.750000 F\n0.297324 0.000000 0.406844 F\n0.735854 0.735854 0.750000 F\n0.702676 0.702676 0.406844 F\n0.000000 0.702676 0.906844 F\n0.000000 0.735854 0.250000 F\n0.702676 0.000000 0.906844 F\n0.735854 0.000000 0.250000 F\n0.000000 0.297324 0.406844 F\n0.000000 0.264146 0.750000 F\n",
            "nsites": 22,
            "nelements": 2,
            "elements": [
                "V",
                "F"
            ],
            "chemical_system": "F-V",
            "density": 2.670827847972339,
            "density_atomic": 0.06483893533221433,
            "volume": 339.30230173088,
            "volume_molar": 9.287846460069778,
            "formula_full": "V4 F18",
            "formula_reduced": "V2F9",
            "formula_anonymous": "A2B9",
            "energy": -132.96631035,
            "energy_per_atom": -6.043923197727272,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.85031035,
            "band_gap": 0.0594999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9931587,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.125000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1202064",
            "created_at": "2022-09-04T14:41:35.562691Z",
            "structure_string": "Cu6 Pb4 Se4 N4 O28\n1.0\n2.924195 -6.218693 0.000000\n2.924195 6.218693 0.000000\n0.000000 0.000000 19.663536\nCu Pb Se N O\n6 4 4 4 28\ndirect\n0.614756 0.385244 0.647214 Cu\n0.385244 0.614756 0.147214 Cu\n0.615260 0.886291 0.646399 Cu\n0.113709 0.384740 0.646399 Cu\n0.384740 0.113709 0.146399 Cu\n0.886291 0.615260 0.146399 Cu\n0.466167 0.533833 0.497152 Pb\n0.533833 0.466167 0.997152 Pb\n0.764874 0.235126 0.799024 Pb\n0.235126 0.764874 0.299024 Pb\n0.766027 0.233973 0.510290 Se\n0.233973 0.766027 0.010290 Se\n0.461840 0.538160 0.782487 Se\n0.538160 0.461840 0.282487 Se\n0.137311 0.862689 0.849236 N\n0.862689 0.137311 0.349236 N\n0.102241 0.897759 0.451545 N\n0.897759 0.102241 0.951545 N\n0.768601 0.231399 0.672764 O\n0.231399 0.768601 0.172764 O\n0.460539 0.539461 0.620062 O\n0.539461 0.460539 0.120062 O\n0.641798 0.358202 0.551189 O\n0.358202 0.641798 0.051189 O\n0.060251 0.403314 0.548991 O\n0.596686 0.939749 0.548991 O\n0.939749 0.596686 0.048991 O\n0.403314 0.060251 0.048991 O\n0.586867 0.413133 0.743321 O\n0.413133 0.586867 0.243321 O\n0.632532 0.831938 0.743746 O\n0.168062 0.367468 0.743746 O\n0.367468 0.168062 0.243746 O\n0.831938 0.632532 0.243746 O\n0.194476 0.805524 0.795576 O\n0.805524 0.194476 0.295576 O\n0.298246 0.078796 0.876147 O\n0.921204 0.701754 0.876147 O\n0.701754 0.921204 0.376147 O\n0.078796 0.298246 0.376147 O\n0.045231 0.954769 0.504855 O\n0.954769 0.045231 0.004855 O\n0.318889 0.057404 0.424309 O\n0.942596 0.681111 0.424309 O\n0.681111 0.942596 0.924309 O\n0.057404 0.318889 0.924309 O\n",
            "nsites": 46,
            "nelements": 5,
            "elements": [
                "Cu",
                "Pb",
                "Se",
                "N",
                "O"
            ],
            "chemical_system": "Cu-N-O-Pb-Se",
            "density": 4.713377700467433,
            "density_atomic": 0.06432218233301015,
            "volume": 715.1498648140985,
            "volume_molar": 9.362463370446678,
            "formula_full": "Cu6 Pb4 Se4 N4 O28",
            "formula_reduced": "Cu3Pb2Se2(NO7)2",
            "formula_anonymous": "A2B2C2D3E14",
            "energy": -277.74780537,
            "energy_per_atom": -6.037995768913043,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.51180537,
            "band_gap": 0.4208000000000003,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.6973998,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.716000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1205758",
            "created_at": "2022-09-04T14:41:35.565211Z",
            "structure_string": "Ba2 Eu1 Mo1 O6\n1.0\n0.000000 4.324643 4.324643\n4.324643 0.000000 4.324643\n4.324643 4.324643 0.000000\nBa Eu Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Mo\n0.771678 0.228322 0.228322 O\n0.228322 0.771678 0.771678 O\n0.228322 0.771678 0.228322 O\n0.771678 0.228322 0.771678 O\n0.228322 0.228322 0.771678 O\n0.771678 0.771678 0.228322 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Eu",
                "Mo",
                "O"
            ],
            "chemical_system": "Ba-Eu-Mo-O",
            "density": 6.349597784207474,
            "density_atomic": 0.06181860744842461,
            "volume": 161.76359210846056,
            "volume_molar": 9.741631215203748,
            "formula_full": "Ba2 Eu1 Mo1 O6",
            "formula_reduced": "Ba2EuMoO6",
            "formula_anonymous": "ABC2D6",
            "energy": -83.34601782,
            "energy_per_atom": -8.334601782,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.02201782,
            "band_gap": 0.0479000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.9933362,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.610000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1041525",
            "created_at": "2022-09-04T14:41:50.259167Z",
            "structure_string": "Mn6 Zn6 As8 O32\n1.0\n5.304508 0.000000 0.000000\n0.000000 8.717620 0.000000\n0.000000 5.998001 15.195648\nMn Zn As O\n6 6 8 32\ndirect\n0.499657 0.199264 0.623661 Mn\n0.500343 0.800736 0.376339 Mn\n0.999657 0.800736 0.876339 Mn\n0.000343 0.199264 0.123661 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.551560 0.304324 0.216206 Zn\n0.051560 0.695676 0.283794 Zn\n0.448440 0.695676 0.783794 Zn\n0.948440 0.304324 0.716206 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.980322 0.031174 0.352524 As\n0.499899 0.416772 0.391549 As\n0.999899 0.583228 0.108451 As\n0.000101 0.416772 0.891549 As\n0.019678 0.968826 0.647476 As\n0.500101 0.583228 0.608451 As\n0.519678 0.031174 0.852524 As\n0.480322 0.968826 0.147476 As\n0.391669 0.822164 0.248451 O\n0.944831 0.750744 0.013272 O\n0.410924 0.394775 0.297252 O\n0.395406 0.164151 0.149275 O\n0.589076 0.605225 0.702748 O\n0.108331 0.822164 0.748451 O\n0.910924 0.605225 0.202748 O\n0.706188 0.501179 0.891665 O\n0.689252 0.076549 0.928407 O\n0.608331 0.177836 0.751549 O\n0.104594 0.164151 0.649275 O\n0.293812 0.498821 0.108335 O\n0.291361 0.569407 0.401297 O\n0.310748 0.923451 0.071593 O\n0.697973 0.978694 0.631181 O\n0.197973 0.021306 0.868819 O\n0.791361 0.430593 0.098703 O\n0.089076 0.394775 0.797252 O\n0.189252 0.923451 0.571593 O\n0.206188 0.498821 0.608335 O\n0.802027 0.978694 0.131181 O\n0.302027 0.021306 0.368819 O\n0.055169 0.249256 0.986728 O\n0.444831 0.249256 0.486728 O\n0.708639 0.430593 0.598703 O\n0.891669 0.177836 0.251549 O\n0.604594 0.835849 0.850725 O\n0.810748 0.076549 0.428407 O\n0.555169 0.750744 0.513272 O\n0.793812 0.501179 0.391665 O\n0.208639 0.569407 0.901297 O\n0.895406 0.835849 0.350725 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Mn",
                "Zn",
                "As",
                "O"
            ],
            "chemical_system": "As-Mn-O-Zn",
            "density": 4.33263948715313,
            "density_atomic": 0.07400159422403632,
            "volume": 702.6875643053373,
            "volume_molar": 8.137852735669794,
            "formula_full": "Mn6 Zn6 As8 O32",
            "formula_reduced": "Mn3Zn3(AsO4)4",
            "formula_anonymous": "A3B3C4D16",
            "energy": -352.79723844,
            "energy_per_atom": -6.784562277692308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -320.80523844,
            "band_gap": 1.3164,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 29.9995686,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.065000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1248716",
            "created_at": "2022-09-04T14:41:52.074761Z",
            "structure_string": "Al2 Os1 Pd1\n1.0\n-8.232173 -0.003125 -4.757951\n-9.601492 -0.592910 7.132116\n-5.662880 10.547170 0.310236\nAl Os Pd\n2 1 1\ndirect\n0.749568 0.000040 0.000040 Al\n0.250432 0.999960 0.999960 Al\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.000000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "Os",
                "Pd"
            ],
            "chemical_system": "Al-Os-Pd",
            "density": 0.5204355672422981,
            "density_atomic": 0.0035756067840434272,
            "volume": 1118.6912436374375,
            "volume_molar": 168.42290340410256,
            "formula_full": "Al2 Os1 Pd1",
            "formula_reduced": "Al2OsPd",
            "formula_anonymous": "ABC2",
            "energy": -14.75807907,
            "energy_per_atom": -3.6895197675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.75807907,
            "band_gap": 0.3803999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.0000026,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:34.666000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1210529",
            "created_at": "2022-09-04T14:41:46.701854Z",
            "structure_string": "Na6 Er2 Br12\n1.0\n7.716724 0.000000 0.000000\n0.000000 7.400038 0.000000\n0.000000 7.379236 10.846018\nNa Er Br\n6 2 12\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.440843 0.242887 0.743632 Na\n0.559157 0.757113 0.256368 Na\n0.940843 0.757113 0.756368 Na\n0.059157 0.242887 0.243632 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.696714 0.905855 0.922652 Br\n0.303286 0.094145 0.077348 Br\n0.196714 0.094145 0.577348 Br\n0.803286 0.905855 0.422652 Br\n0.062366 0.370184 0.760908 Br\n0.937634 0.629816 0.239092 Br\n0.562366 0.629816 0.739092 Br\n0.437634 0.370184 0.260908 Br\n0.178995 0.751038 0.937271 Br\n0.821005 0.248962 0.062729 Br\n0.678995 0.248962 0.562729 Br\n0.321005 0.751038 0.437271 Br\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Na",
                "Er",
                "Br"
            ],
            "chemical_system": "Br-Er-Na",
            "density": 3.8374606146593386,
            "density_atomic": 0.03229183744292149,
            "volume": 619.3515632348783,
            "volume_molar": 18.64911146863239,
            "formula_full": "Na6 Er2 Br12",
            "formula_reduced": "Na3ErBr6",
            "formula_anonymous": "AB3C6",
            "energy": -76.98199489,
            "energy_per_atom": -3.8490997444999997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.57399489,
            "band_gap": 4.5156,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015134,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:24.475000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-9789",
            "created_at": "2022-09-04T14:41:51.361968Z",
            "structure_string": "Ca4 P4 S12\n1.0\n7.356015 0.000000 0.000000\n0.000000 6.624645 0.000000\n0.000000 6.261148 9.264406\nCa P S\n4 4 12\ndirect\n0.619469 0.714154 0.247654 Ca\n0.119469 0.285846 0.252346 Ca\n0.380531 0.285846 0.752346 Ca\n0.880531 0.714154 0.747654 Ca\n0.608656 0.364842 0.066122 P\n0.108656 0.635158 0.433878 P\n0.391344 0.635158 0.933878 P\n0.891344 0.364842 0.566122 P\n0.693939 0.579213 0.568048 S\n0.193939 0.420787 0.931952 S\n0.306061 0.420787 0.431952 S\n0.806061 0.579213 0.068048 S\n0.006472 0.116640 0.759368 S\n0.506472 0.883360 0.740632 S\n0.993528 0.883360 0.240632 S\n0.493528 0.116640 0.259368 S\n0.806192 0.226510 0.452818 S\n0.306192 0.773490 0.047182 S\n0.193808 0.773490 0.547182 S\n0.693808 0.226510 0.952818 S\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ca",
                "P",
                "S"
            ],
            "chemical_system": "Ca-P-S",
            "density": 2.460616950569083,
            "density_atomic": 0.04430035434076095,
            "volume": 451.463657517473,
            "volume_molar": 13.59388846797327,
            "formula_full": "Ca4 P4 S12",
            "formula_reduced": "CaPS3",
            "formula_anonymous": "ABC3",
            "energy": -106.46595543,
            "energy_per_atom": -5.3232977715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.42995543,
            "band_gap": 3.0848000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0019151,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:33.625000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1173850",
            "created_at": "2022-09-04T14:41:52.156064Z",
            "structure_string": "Na24 Ga4 P12\n1.0\n8.016696 -0.043278 -0.751177\n-4.103996 6.910736 -1.143039\n0.380999 0.961068 16.008517\nNa Ga P\n24 4 12\ndirect\n0.029822 0.857872 0.581463 Na\n0.157798 0.976565 0.927664 Na\n0.046292 0.558025 0.700512 Na\n0.129936 0.622006 0.469821 Na\n0.161117 0.355691 0.997920 Na\n0.427236 0.916046 0.811063 Na\n0.156698 0.291400 0.802127 Na\n0.490153 0.692899 0.937116 Na\n0.263236 0.373503 0.204629 Na\n0.551304 0.793596 0.313185 Na\n0.241282 0.022383 0.304635 Na\n0.643661 0.803251 0.501002 Na\n0.344309 0.182609 0.493804 Na\n0.765722 0.963788 0.700442 Na\n0.428224 0.206812 0.693410 Na\n0.739845 0.623942 0.796725 Na\n0.508649 0.309561 0.062942 Na\n0.840650 0.712978 0.199329 Na\n0.571582 0.081649 0.186457 Na\n0.838126 0.644242 0.001611 Na\n0.723877 0.213962 0.558700 Na\n0.952970 0.446804 0.290793 Na\n0.843377 0.023261 0.072603 Na\n0.969861 0.149405 0.418609 Na\n0.201321 0.705560 0.091749 Ga\n0.366281 0.528667 0.597975 Ga\n0.645631 0.473173 0.405660 Ga\n0.797940 0.294289 0.906986 Ga\n0.180527 0.990367 0.120497 P\n0.096022 0.597534 0.892432 P\n0.383220 0.838236 0.626068 P\n0.086567 0.236414 0.617601 P\n0.333346 0.459164 0.396093 P\n0.494303 0.694300 0.119337 P\n0.503734 0.304759 0.880727 P\n0.672807 0.535552 0.604179 P\n0.916393 0.769804 0.384915 P\n0.633391 0.173364 0.374605 P\n0.902173 0.401781 0.104367 P\n0.819417 0.008788 0.880718 P\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Na",
                "Ga",
                "P"
            ],
            "chemical_system": "Ga-Na-P",
            "density": 2.22375281142179,
            "density_atomic": 0.04455260886633031,
            "volume": 897.8149881191167,
            "volume_molar": 13.516920587227622,
            "formula_full": "Na24 Ga4 P12",
            "formula_reduced": "Na6GaP3",
            "formula_anonymous": "AB3C6",
            "energy": -123.36288081,
            "energy_per_atom": -3.08407202025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.36288081,
            "band_gap": 0.8758999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003973,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:34.396000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-5114",
            "created_at": "2022-09-04T14:41:48.282848Z",
            "structure_string": "K12 Hg2 S8\n1.0\n5.051424 -8.749323 0.000000\n5.051424 8.749323 0.000000\n0.000000 0.000000 7.792807\nK Hg S\n12 2 8\ndirect\n0.851372 0.702745 0.291603 K\n0.530297 0.060593 0.623931 K\n0.060593 0.530297 0.123931 K\n0.939407 0.469703 0.623931 K\n0.530297 0.469703 0.623931 K\n0.469703 0.939407 0.123931 K\n0.702745 0.851372 0.791603 K\n0.297255 0.148628 0.291603 K\n0.851372 0.148628 0.291603 K\n0.148628 0.297255 0.791603 K\n0.469703 0.530297 0.123931 K\n0.148628 0.851372 0.791603 K\n0.666667 0.333333 0.002627 Hg\n0.333333 0.666667 0.502627 Hg\n0.189509 0.379018 0.398073 S\n0.810491 0.189509 0.898073 S\n0.189509 0.810491 0.398073 S\n0.810491 0.620982 0.898073 S\n0.666667 0.333333 0.344551 S\n0.333333 0.666667 0.844551 S\n0.379018 0.189509 0.898073 S\n0.620982 0.810491 0.398073 S\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "K",
                "Hg",
                "S"
            ],
            "chemical_system": "Hg-K-S",
            "density": 2.716529497573888,
            "density_atomic": 0.0319382040825107,
            "volume": 688.8302154737361,
            "volume_molar": 18.855602351472587,
            "formula_full": "K12 Hg2 S8",
            "formula_reduced": "K6HgS4",
            "formula_anonymous": "AB4C6",
            "energy": -72.32245249,
            "energy_per_atom": -3.2873842040909094,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.29845249,
            "band_gap": 1.7161,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001642,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.576000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1201492",
            "created_at": "2022-09-04T14:41:48.293438Z",
            "structure_string": "Si232\n1.0\n17.645510 0.000000 0.000000\n0.000000 17.645510 -0.000000\n0.000000 -0.000000 17.645510\nSi\n232\ndirect\n0.262521 0.845906 0.418133 Si\n0.737479 0.345906 0.081867 Si\n0.237479 0.154094 0.918133 Si\n0.762521 0.654094 0.581867 Si\n0.418133 0.262521 0.845906 Si\n0.081867 0.737479 0.345906 Si\n0.918133 0.237479 0.154094 Si\n0.581867 0.762521 0.654094 Si\n0.845906 0.418133 0.262521 Si\n0.345906 0.081867 0.737479 Si\n0.154094 0.918133 0.237479 Si\n0.654094 0.581867 0.762521 Si\n0.737479 0.154094 0.581867 Si\n0.262521 0.654094 0.918133 Si\n0.762521 0.845906 0.081867 Si\n0.237479 0.345906 0.418133 Si\n0.581867 0.737479 0.154094 Si\n0.918133 0.262521 0.654094 Si\n0.081867 0.762521 0.845906 Si\n0.418133 0.237479 0.345906 Si\n0.154094 0.581867 0.737479 Si\n0.654094 0.918133 0.262521 Si\n0.845906 0.081867 0.762521 Si\n0.345906 0.418133 0.237479 Si\n0.894093 0.815674 0.404241 Si\n0.105907 0.315674 0.095759 Si\n0.605907 0.184326 0.904241 Si\n0.394093 0.684326 0.595759 Si\n0.404241 0.894093 0.815674 Si\n0.095759 0.105907 0.315674 Si\n0.904241 0.605907 0.184326 Si\n0.595759 0.394093 0.684326 Si\n0.815674 0.404241 0.894093 Si\n0.315674 0.095759 0.105907 Si\n0.184326 0.904241 0.605907 Si\n0.684326 0.595759 0.394093 Si\n0.105907 0.184326 0.595759 Si\n0.894093 0.684326 0.904241 Si\n0.394093 0.815674 0.095759 Si\n0.605907 0.315674 0.404241 Si\n0.595759 0.105907 0.184326 Si\n0.904241 0.894093 0.684326 Si\n0.095759 0.394093 0.815674 Si\n0.404241 0.605907 0.315674 Si\n0.184326 0.595759 0.105907 Si\n0.684326 0.904241 0.894093 Si\n0.815674 0.095759 0.394093 Si\n0.315674 0.404241 0.605907 Si\n0.391910 0.807586 0.401593 Si\n0.608090 0.307586 0.098407 Si\n0.108090 0.192414 0.901593 Si\n0.891910 0.692414 0.598407 Si\n0.401593 0.391910 0.807586 Si\n0.098407 0.608090 0.307586 Si\n0.901593 0.108090 0.192414 Si\n0.598407 0.891910 0.692414 Si\n0.807586 0.401593 0.391910 Si\n0.307586 0.098407 0.608090 Si\n0.192414 0.901593 0.108090 Si\n0.692414 0.598407 0.891910 Si\n0.608090 0.192414 0.598407 Si\n0.391910 0.692414 0.901593 Si\n0.891910 0.807586 0.098407 Si\n0.108090 0.307586 0.401593 Si\n0.598407 0.608090 0.192414 Si\n0.901593 0.391910 0.692414 Si\n0.098407 0.891910 0.807586 Si\n0.401593 0.108090 0.307586 Si\n0.192414 0.598407 0.608090 Si\n0.692414 0.901593 0.391910 Si\n0.807586 0.098407 0.891910 Si\n0.307586 0.401593 0.108090 Si\n0.973216 0.802579 0.296740 Si\n0.026784 0.302579 0.203260 Si\n0.526784 0.197421 0.796740 Si\n0.473216 0.697421 0.703260 Si\n0.296740 0.973216 0.802579 Si\n0.203260 0.026784 0.302579 Si\n0.796740 0.526784 0.197421 Si\n0.703260 0.473216 0.697421 Si\n0.802579 0.296740 0.973216 Si\n0.302579 0.203260 0.026784 Si\n0.197421 0.796740 0.526784 Si\n0.697421 0.703260 0.473216 Si\n0.026784 0.197421 0.703260 Si\n0.973216 0.697421 0.796740 Si\n0.473216 0.802579 0.203260 Si\n0.526784 0.302579 0.296740 Si\n0.703260 0.026784 0.197421 Si\n0.796740 0.973216 0.697421 Si\n0.203260 0.473216 0.802579 Si\n0.296740 0.526784 0.302579 Si\n0.197421 0.703260 0.026784 Si\n0.697421 0.796740 0.973216 Si\n0.802579 0.203260 0.473216 Si\n0.302579 0.296740 0.526784 Si\n0.763502 0.786322 0.389731 Si\n0.236498 0.286322 0.110269 Si\n0.736498 0.213678 0.889731 Si\n0.263502 0.713678 0.610269 Si\n0.389731 0.763502 0.786322 Si\n0.110269 0.236498 0.286322 Si\n0.889731 0.736498 0.213678 Si\n0.610269 0.263502 0.713678 Si\n0.786322 0.389731 0.763502 Si\n0.286322 0.110269 0.236498 Si\n0.213678 0.889731 0.736498 Si\n0.713678 0.610269 0.263502 Si\n0.236498 0.213678 0.610269 Si\n0.763502 0.713678 0.889731 Si\n0.263502 0.786322 0.110269 Si\n0.736498 0.286322 0.389731 Si\n0.610269 0.236498 0.213678 Si\n0.889731 0.763502 0.713678 Si\n0.110269 0.263502 0.786322 Si\n0.389731 0.736498 0.286322 Si\n0.213678 0.610269 0.236498 Si\n0.713678 0.889731 0.763502 Si\n0.786322 0.110269 0.263502 Si\n0.286322 0.389731 0.736498 Si\n0.958884 0.771284 0.513176 Si\n0.041116 0.271284 0.986824 Si\n0.541116 0.228716 0.013176 Si\n0.458884 0.728716 0.486824 Si\n0.513176 0.958884 0.771284 Si\n0.986824 0.041116 0.271284 Si\n0.013176 0.541116 0.228716 Si\n0.486824 0.458884 0.728716 Si\n0.771284 0.513176 0.958884 Si\n0.271284 0.986824 0.041116 Si\n0.228716 0.013176 0.541116 Si\n0.728716 0.486824 0.458884 Si\n0.041116 0.228716 0.486824 Si\n0.958884 0.728716 0.013176 Si\n0.458884 0.771284 0.986824 Si\n0.541116 0.271284 0.513176 Si\n0.486824 0.041116 0.228716 Si\n0.013176 0.958884 0.728716 Si\n0.986824 0.458884 0.771284 Si\n0.513176 0.541116 0.271284 Si\n0.228716 0.486824 0.041116 Si\n0.728716 0.013176 0.958884 Si\n0.771284 0.986824 0.458884 Si\n0.271284 0.513176 0.541116 Si\n0.583246 0.768409 0.518490 Si\n0.416754 0.268409 0.981510 Si\n0.916754 0.231591 0.018490 Si\n0.083246 0.731591 0.481510 Si\n0.518490 0.583246 0.768409 Si\n0.981510 0.416754 0.268409 Si\n0.018490 0.916754 0.231591 Si\n0.481510 0.083246 0.731591 Si\n0.768409 0.518490 0.583246 Si\n0.268409 0.981510 0.416754 Si\n0.231591 0.018490 0.916754 Si\n0.731591 0.481510 0.083246 Si\n0.416754 0.231591 0.481510 Si\n0.583246 0.731591 0.018490 Si\n0.083246 0.768409 0.981510 Si\n0.916754 0.268409 0.518490 Si\n0.481510 0.416754 0.231591 Si\n0.018490 0.583246 0.731591 Si\n0.981510 0.083246 0.768409 Si\n0.518490 0.916754 0.268409 Si\n0.231591 0.481510 0.416754 Si\n0.731591 0.018490 0.583246 Si\n0.768409 0.981510 0.083246 Si\n0.268409 0.518490 0.916754 Si\n0.084245 0.604215 0.526640 Si\n0.915755 0.104215 0.973360 Si\n0.415755 0.395785 0.026640 Si\n0.584245 0.895785 0.473360 Si\n0.526640 0.084245 0.604215 Si\n0.973360 0.915755 0.104215 Si\n0.026640 0.415755 0.395785 Si\n0.473360 0.584245 0.895785 Si\n0.604215 0.526640 0.084245 Si\n0.104215 0.973360 0.915755 Si\n0.395785 0.026640 0.415755 Si\n0.895785 0.473360 0.584245 Si\n0.915755 0.395785 0.473360 Si\n0.084245 0.895785 0.026640 Si\n0.584245 0.604215 0.973360 Si\n0.415755 0.104215 0.526640 Si\n0.473360 0.915755 0.395785 Si\n0.026640 0.084245 0.895785 Si\n0.973360 0.584245 0.604215 Si\n0.526640 0.415755 0.104215 Si\n0.395785 0.473360 0.915755 Si\n0.895785 0.026640 0.084245 Si\n0.604215 0.973360 0.584245 Si\n0.104215 0.526640 0.415755 Si\n0.455353 0.606286 0.437372 Si\n0.544647 0.106286 0.062628 Si\n0.044647 0.393714 0.937372 Si\n0.955353 0.893714 0.562628 Si\n0.437372 0.455353 0.606286 Si\n0.062628 0.544647 0.106286 Si\n0.937372 0.044647 0.393714 Si\n0.562628 0.955353 0.893714 Si\n0.606286 0.437372 0.455353 Si\n0.106286 0.062628 0.544647 Si\n0.393714 0.937372 0.044647 Si\n0.893714 0.562628 0.955353 Si\n0.544647 0.393714 0.562628 Si\n0.455353 0.893714 0.937372 Si\n0.955353 0.606286 0.062628 Si\n0.044647 0.106286 0.437372 Si\n0.562628 0.544647 0.393714 Si\n0.937372 0.455353 0.893714 Si\n0.062628 0.955353 0.606286 Si\n0.437372 0.044647 0.106286 Si\n0.393714 0.562628 0.544647 Si\n0.893714 0.937372 0.455353 Si\n0.606286 0.062628 0.955353 Si\n0.106286 0.437372 0.044647 Si\n0.189655 0.810345 0.310345 Si\n0.810345 0.310345 0.189655 Si\n0.310345 0.189655 0.810345 Si\n0.689655 0.689655 0.689655 Si\n0.810345 0.189655 0.689655 Si\n0.189655 0.689655 0.810345 Si\n0.689655 0.810345 0.189655 Si\n0.310345 0.310345 0.310345 Si\n0.766026 0.766026 0.766026 Si\n0.233974 0.266026 0.733974 Si\n0.733974 0.233974 0.266026 Si\n0.266026 0.733974 0.233974 Si\n0.233974 0.233974 0.233974 Si\n0.766026 0.733974 0.266026 Si\n0.266026 0.766026 0.733974 Si\n0.733974 0.266026 0.766026 Si\n",
            "nsites": 232,
            "nelements": 1,
            "elements": [
                "Si"
            ],
            "chemical_system": "Si",
            "density": 1.9693213852509355,
            "density_atomic": 0.042226524675571815,
            "volume": 5494.176984311777,
            "volume_molar": 14.261511706843894,
            "formula_full": "Si232",
            "formula_reduced": "Si",
            "formula_anonymous": "A",
            "energy": -1230.56625322,
            "energy_per_atom": -5.304164884568965,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1230.56625322,
            "band_gap": 1.0302000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0022583,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.608000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1029148",
            "created_at": "2022-09-04T14:41:44.909203Z",
            "structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.698507 -2.941900 0.000000\n1.698507 2.941900 0.000000\n0.000000 0.000000 38.718704\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333333 0.666667 0.045578 Te\n0.333333 0.666667 0.421005 Te\n0.333333 0.666667 0.142272 Te\n0.333333 0.666667 0.518353 Te\n0.000000 0.000000 0.093906 Mo\n0.333333 0.666667 0.281772 Mo\n0.000000 0.000000 0.469646 W\n0.333333 0.666667 0.657531 W\n0.000000 0.000000 0.324384 Se\n0.000000 0.000000 0.239228 Se\n0.000000 0.000000 0.696452 S\n0.000000 0.000000 0.618620 S\n",
            "nsites": 12,
            "nelements": 5,
            "elements": [
                "Te",
                "Mo",
                "W",
                "Se",
                "S"
            ],
            "chemical_system": "Mo-S-Se-Te-W",
            "density": 5.544583362523658,
            "density_atomic": 0.031012386724137298,
            "volume": 386.94216303772134,
            "volume_molar": 19.418501431600227,
            "formula_full": "Te4 Mo2 W2 Se2 S2",
            "formula_reduced": "Te2MoWSeS",
            "formula_anonymous": "ABCDE2",
            "energy": -83.91199684,
            "energy_per_atom": -6.992666403333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.27399684,
            "band_gap": 1.4515000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0019044,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.412000Z",
            "spacegroup": 156
        }
    ]
}