GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12194
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": null,
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12193",
    "results": [
        {
            "id": "mp-1030504",
            "created_at": "2022-09-04T14:43:20.390432Z",
            "structure_string": "Mo1 W3 Se8\n1.0\n1.660664 -2.876354 0.000000\n1.660664 2.876354 0.000000\n0.000000 0.000000 37.870512\nMo W Se\n1 3 8\ndirect\n0.000000 0.000000 0.093920 Mo\n0.000000 0.000000 0.469656 W\n0.333333 0.666667 0.281799 W\n0.333333 0.666667 0.657541 W\n0.000000 0.000000 0.326257 Se\n0.000000 0.000000 0.702000 Se\n0.333333 0.666667 0.049681 Se\n0.333333 0.666667 0.425215 Se\n0.333333 0.666667 0.138168 Se\n0.333333 0.666667 0.514098 Se\n0.000000 0.000000 0.237337 Se\n0.000000 0.000000 0.613076 Se\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Mo",
                "W",
                "Se"
            ],
            "chemical_system": "Mo-Se-W",
            "density": 5.870997551651462,
            "density_atomic": 0.033168510408442,
            "volume": 361.78893330542144,
            "volume_molar": 18.15619901479583,
            "formula_full": "Mo1 W3 Se8",
            "formula_reduced": "MoW3Se8",
            "formula_anonymous": "AB3C8",
            "energy": -88.48703574,
            "energy_per_atom": -7.373919645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.71103574,
            "band_gap": 1.1583,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001075,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:12.517000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-36641",
            "created_at": "2022-09-04T14:43:23.052662Z",
            "structure_string": "Cd1 Ga6 Te10\n1.0\n3.085222 6.873463 0.000000\n-3.085222 6.873463 0.000000\n0.000000 0.270702 13.380085\nCd Ga Te\n1 6 10\ndirect\n0.899735 0.100265 0.500000 Cd\n0.003276 0.192385 0.801488 Ga\n0.713939 0.893671 0.898776 Ga\n0.807615 0.996724 0.198512 Ga\n0.106329 0.286061 0.101224 Ga\n0.201249 0.395634 0.399727 Ga\n0.604366 0.798751 0.600273 Ga\n0.782689 0.507108 0.954250 Te\n0.105090 0.793382 0.843928 Te\n0.206618 0.894910 0.156072 Te\n0.492892 0.217311 0.045750 Te\n0.574635 0.338175 0.336758 Te\n0.876680 0.605589 0.251199 Te\n0.031299 0.662230 0.564882 Te\n0.337770 0.968701 0.435118 Te\n0.394411 0.123320 0.748801 Te\n0.661825 0.425365 0.663242 Te\n",
            "nsites": 17,
            "nelements": 3,
            "elements": [
                "Cd",
                "Ga",
                "Te"
            ],
            "chemical_system": "Cd-Ga-Te",
            "density": 5.286838374649413,
            "density_atomic": 0.029956980351708292,
            "volume": 567.4804269459881,
            "volume_molar": 20.10262946831552,
            "formula_full": "Cd1 Ga6 Te10",
            "formula_reduced": "Cd(Ga3Te5)2",
            "formula_anonymous": "AB6C10",
            "energy": -60.55155669,
            "energy_per_atom": -3.5618562758823527,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.33155669,
            "band_gap": 0.6335999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0021056,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.373000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1031159",
            "created_at": "2022-09-04T14:43:22.651231Z",
            "structure_string": "Na1 La1 Mg6 O8\n1.0\n9.089380 0.000000 0.000000\n-0.000000 4.517145 0.000000\n-0.000000 -0.000000 4.517145\nNa La Mg O\n1 1 6 8\ndirect\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.278008 0.000000 0.500000 Mg\n0.721992 -0.000000 0.500000 Mg\n0.278008 0.500000 -0.000000 Mg\n0.721992 0.500000 0.000000 Mg\n0.257197 -0.000000 0.000000 O\n0.742803 0.000000 -0.000000 O\n0.248657 0.500000 0.500000 O\n0.751343 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Na",
                "La",
                "Mg",
                "O"
            ],
            "chemical_system": "La-Mg-Na-O",
            "density": 3.9011684806757874,
            "density_atomic": 0.08626957511029798,
            "volume": 185.46515361346763,
            "volume_molar": 6.9806078820957795,
            "formula_full": "Na1 La1 Mg6 O8",
            "formula_reduced": "NaLaMg6O8",
            "formula_anonymous": "ABC6D8",
            "energy": -100.22666322,
            "energy_per_atom": -6.26416645125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.73066322,
            "band_gap": 3.777,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.299000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-732041",
            "created_at": "2022-09-04T14:43:40.982540Z",
            "structure_string": "Mo6 Br12 O2\n1.0\n-5.403103 5.403103 6.144738\n5.403103 -5.403103 6.144738\n5.403103 5.403103 -6.144738\nMo Br O\n6 12 2\ndirect\n0.200595 0.896260 0.096855 Mo\n0.799405 0.103740 0.903145 Mo\n0.103740 0.200595 0.304334 Mo\n0.896260 0.799405 0.695666 Mo\n0.810645 0.810645 0.000000 Mo\n0.189355 0.189355 0.000000 Mo\n0.409539 0.787682 0.197221 Br\n0.590461 0.212318 0.802779 Br\n0.212318 0.409539 0.621857 Br\n0.787682 0.590461 0.378143 Br\n0.934372 0.606800 0.830231 Br\n0.776569 0.104140 0.169769 Br\n0.104140 0.934372 0.327571 Br\n0.606800 0.776569 0.672429 Br\n0.065628 0.393200 0.169769 Br\n0.223431 0.895860 0.830231 Br\n0.895860 0.065628 0.672429 Br\n0.393200 0.223431 0.327571 Br\n0.671013 0.671013 0.000000 O\n0.328987 0.328987 0.000000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Mo",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Mo-O",
            "density": 3.6251500089510285,
            "density_atomic": 0.02787277063242759,
            "volume": 717.5461766521232,
            "volume_molar": 21.60582038799456,
            "formula_full": "Mo6 Br12 O2",
            "formula_reduced": "Mo3Br6O",
            "formula_anonymous": "AB3C6",
            "energy": -106.27512107,
            "energy_per_atom": -5.3137560535,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.28112107,
            "band_gap": 0.7679999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.0001474,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.550000Z",
            "spacegroup": 87
        },
        {
            "id": "mp-1201314",
            "created_at": "2022-09-04T14:43:20.410505Z",
            "structure_string": "Li16 Be12 P14 O58\n1.0\n5.843618 -10.121443 0.000000\n5.843618 10.121443 0.000000\n0.000000 0.000000 9.350234\nLi Be P O\n16 12 14 58\ndirect\n0.000000 0.000000 0.552274 Li\n0.000000 0.000000 0.052274 Li\n0.666667 0.333333 0.381212 Li\n0.333333 0.666667 0.881212 Li\n0.455567 0.554375 0.456700 Li\n0.098808 0.544433 0.456700 Li\n0.445625 0.901192 0.456700 Li\n0.901192 0.445625 0.956700 Li\n0.554375 0.455567 0.956700 Li\n0.544433 0.098808 0.956700 Li\n0.651605 0.824589 0.258824 Li\n0.172984 0.348395 0.258824 Li\n0.175411 0.827016 0.258824 Li\n0.827016 0.175411 0.758824 Li\n0.824589 0.651605 0.758824 Li\n0.348395 0.172984 0.758824 Li\n0.001073 0.746280 0.007597 Be\n0.745207 0.998927 0.007597 Be\n0.253720 0.254793 0.007597 Be\n0.254793 0.253720 0.507597 Be\n0.746280 0.001073 0.507597 Be\n0.998927 0.745207 0.507597 Be\n0.671455 0.582292 0.256110 Be\n0.910837 0.328545 0.256110 Be\n0.417708 0.089163 0.256110 Be\n0.089163 0.417708 0.756110 Be\n0.582292 0.671455 0.756110 Be\n0.328545 0.910837 0.756110 Be\n0.914817 0.578087 0.255834 P\n0.663270 0.085183 0.255834 P\n0.421913 0.336730 0.255834 P\n0.336730 0.421913 0.755834 P\n0.578087 0.914817 0.755834 P\n0.085183 0.663270 0.755834 P\n0.250916 0.999795 0.007228 P\n0.748878 0.749084 0.007228 P\n0.000205 0.251122 0.007228 P\n0.251122 0.000205 0.507228 P\n0.999795 0.250916 0.507228 P\n0.749084 0.748878 0.507228 P\n0.333333 0.666667 0.262905 P\n0.666667 0.333333 0.762905 P\n0.948802 0.606404 0.094426 O\n0.657603 0.051198 0.094426 O\n0.393596 0.342397 0.094426 O\n0.342397 0.393596 0.594426 O\n0.606404 0.948802 0.594426 O\n0.051198 0.657603 0.594426 O\n0.955109 0.478202 0.310314 O\n0.523093 0.044891 0.310314 O\n0.521798 0.476907 0.310314 O\n0.476907 0.521798 0.810314 O\n0.478202 0.955109 0.810314 O\n0.044891 0.523093 0.810314 O\n0.004888 0.714399 0.838491 O\n0.709510 0.995112 0.838491 O\n0.285601 0.290490 0.838491 O\n0.290490 0.285601 0.338491 O\n0.714399 0.004888 0.338491 O\n0.995112 0.709510 0.338491 O\n0.764154 0.516173 0.281789 O\n0.752019 0.235846 0.281789 O\n0.483827 0.247981 0.281789 O\n0.247981 0.483827 0.781789 O\n0.516173 0.764154 0.781789 O\n0.235846 0.752019 0.781789 O\n0.147096 0.861800 0.064370 O\n0.714704 0.852904 0.064370 O\n0.138200 0.285296 0.064370 O\n0.285296 0.138200 0.564370 O\n0.861800 0.147096 0.564370 O\n0.852904 0.714704 0.564370 O\n0.666840 0.616994 0.087061 O\n0.950153 0.333160 0.087061 O\n0.383006 0.049847 0.087061 O\n0.049847 0.383006 0.587061 O\n0.616994 0.666840 0.587061 O\n0.333160 0.950153 0.587061 O\n0.899948 0.805286 0.028793 O\n0.905339 0.100052 0.028793 O\n0.194714 0.094661 0.028793 O\n0.094661 0.194714 0.528793 O\n0.805286 0.899948 0.528793 O\n0.100052 0.905339 0.528793 O\n0.724297 0.719438 0.345489 O\n0.995141 0.275703 0.345489 O\n0.280562 0.004859 0.345489 O\n0.004859 0.280562 0.845489 O\n0.719438 0.724297 0.845489 O\n0.275703 0.995141 0.845489 O\n0.274741 0.749653 0.323675 O\n0.474912 0.725259 0.323675 O\n0.250347 0.525088 0.323675 O\n0.525088 0.250347 0.823675 O\n0.749653 0.274741 0.823675 O\n0.725259 0.474912 0.823675 O\n0.333333 0.666667 0.097975 O\n0.666667 0.333333 0.597975 O\n0.000000 0.000000 0.280674 O\n0.000000 0.000000 0.780674 O\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "Li",
                "Be",
                "P",
                "O"
            ],
            "chemical_system": "Be-Li-O-P",
            "density": 2.37328181647583,
            "density_atomic": 0.09041141635099735,
            "volume": 1106.055009820636,
            "volume_molar": 6.660818957443054,
            "formula_full": "Li16 Be12 P14 O58",
            "formula_reduced": "Li8Be6P7O29",
            "formula_anonymous": "A6B7C8D29",
            "energy": -713.31742669,
            "energy_per_atom": -7.1331742669,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -673.47142669,
            "band_gap": 0.1894,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.2034789,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.131000Z",
            "spacegroup": 159
        },
        {
            "id": "mp-556372",
            "created_at": "2022-09-04T14:43:20.421775Z",
            "structure_string": "Ca3 S3 O12\n1.0\n3.525397 -6.106166 0.000000\n3.525397 6.106166 0.000000\n0.000000 0.000000 6.358059\nCa S O\n3 3 12\ndirect\n0.500000 0.500000 0.166667 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.833333 Ca\n0.500000 0.000000 0.000000 S\n0.500000 0.500000 0.666667 S\n0.000000 0.500000 0.333333 S\n0.135510 0.688795 0.474043 O\n0.311205 0.446715 0.807376 O\n0.688795 0.553285 0.807376 O\n0.446715 0.135510 0.140709 O\n0.553285 0.864490 0.140709 O\n0.864490 0.311205 0.474043 O\n0.553285 0.688795 0.525957 O\n0.688795 0.135510 0.859291 O\n0.864490 0.553285 0.192624 O\n0.135510 0.446715 0.192624 O\n0.311205 0.864490 0.859291 O\n0.446715 0.311205 0.525957 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ca",
                "S",
                "O"
            ],
            "chemical_system": "Ca-O-S",
            "density": 2.4775750898159377,
            "density_atomic": 0.06575689811634748,
            "volume": 273.735539777919,
            "volume_molar": 9.158188619762262,
            "formula_full": "Ca3 S3 O12",
            "formula_reduced": "CaSO4",
            "formula_anonymous": "ABC4",
            "energy": -125.79327991,
            "energy_per_atom": -6.988515550555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.54927991,
            "band_gap": 5.674,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.555000Z",
            "spacegroup": 181
        },
        {
            "id": "mp-758069",
            "created_at": "2022-09-04T14:43:36.611828Z",
            "structure_string": "Sr18 Co12 O35\n1.0\n10.294624 6.101718 0.000000\n-10.294624 6.101718 0.000000\n0.000000 2.452565 7.341418\nSr Co O\n18 12 35\ndirect\n0.506474 0.150734 0.837157 Sr\n0.191114 0.811797 0.000556 Sr\n0.811797 0.191114 0.000556 Sr\n0.007236 0.007236 0.005493 Sr\n0.150734 0.506474 0.837157 Sr\n0.006945 0.006945 0.487316 Sr\n0.188595 0.810632 0.498753 Sr\n0.509173 0.148830 0.333909 Sr\n0.810632 0.188595 0.498753 Sr\n0.846641 0.479516 0.663574 Sr\n0.681895 0.681895 0.651846 Sr\n0.479516 0.846641 0.663574 Sr\n0.148830 0.509173 0.333909 Sr\n0.681875 0.681875 0.166296 Sr\n0.314181 0.314181 0.847830 Sr\n0.314508 0.314508 0.337943 Sr\n0.846069 0.480130 0.173230 Sr\n0.480130 0.846069 0.173230 Sr\n0.263054 0.069908 0.666039 Co\n0.597539 0.402956 0.000204 Co\n0.402956 0.597539 0.000204 Co\n0.712338 0.931695 0.839282 Co\n0.931695 0.712338 0.839282 Co\n0.069908 0.263054 0.666039 Co\n0.400598 0.598140 0.499752 Co\n0.598140 0.400598 0.499752 Co\n0.264555 0.067636 0.167626 Co\n0.929224 0.736961 0.332921 Co\n0.067636 0.264555 0.167626 Co\n0.736961 0.929224 0.332921 Co\n0.245289 0.050126 0.928038 O\n0.588064 0.749741 0.915712 O\n0.137821 0.137821 0.681451 O\n0.635289 0.038114 0.832704 O\n0.700238 0.313869 0.997949 O\n0.313869 0.700238 0.997949 O\n0.749741 0.588064 0.915712 O\n0.038114 0.635289 0.832704 O\n0.050126 0.245289 0.928038 O\n0.585859 0.419306 0.766818 O\n0.307894 0.696181 0.497312 O\n0.033569 0.648960 0.328411 O\n0.648960 0.033569 0.328411 O\n0.967403 0.355278 0.666838 O\n0.244041 0.050018 0.424486 O\n0.585718 0.420086 0.230778 O\n0.570520 0.741295 0.422249 O\n0.950298 0.770555 0.596309 O\n0.260815 0.429754 0.577042 O\n0.696181 0.307894 0.497312 O\n0.429754 0.260815 0.577042 O\n0.355278 0.967403 0.666838 O\n0.419306 0.585859 0.766818 O\n0.050018 0.244041 0.424486 O\n0.741295 0.570520 0.422249 O\n0.770555 0.950298 0.596309 O\n0.420086 0.585718 0.230778 O\n0.950663 0.771150 0.043239 O\n0.146430 0.146430 0.176439 O\n0.856971 0.856971 0.321578 O\n0.964894 0.354274 0.172477 O\n0.425396 0.251770 0.081388 O\n0.251770 0.425396 0.081388 O\n0.354274 0.964894 0.172477 O\n0.771150 0.950663 0.043239 O\n",
            "nsites": 65,
            "nelements": 3,
            "elements": [
                "Sr",
                "Co",
                "O"
            ],
            "chemical_system": "Co-O-Sr",
            "density": 5.121033665386451,
            "density_atomic": 0.0704759254301522,
            "volume": 922.3007658753014,
            "volume_molar": 8.544961592549031,
            "formula_full": "Sr18 Co12 O35",
            "formula_reduced": "Sr18Co12O35",
            "formula_anonymous": "A12B18C35",
            "energy": -438.48831167,
            "energy_per_atom": -6.745974025692307,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -394.78731167,
            "band_gap": 0.0352999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 37.9992784,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.322000Z",
            "spacegroup": 8
        }
    ]
}