GET /third-parties/MatprojStructure/?format=api&ordering=-volume&page=106
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=-volume&page=107",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=105",
    "results": [
        {
            "id": "mp-1194697",
            "created_at": "2022-09-04T14:39:33.093036Z",
            "structure_string": "Ag8 B40 H48 N16 Cl40\n1.0\n15.084616 0.000000 0.000000\n0.000000 12.532203 0.000000\n0.000000 0.000000 14.014372\nAg B H N Cl\n8 40 48 16 40\ndirect\n0.705897 0.101654 0.936559 Ag\n0.794103 0.398346 0.436559 Ag\n0.205897 0.398346 0.063441 Ag\n0.294103 0.101654 0.563441 Ag\n0.294103 0.898346 0.063441 Ag\n0.205897 0.601654 0.563441 Ag\n0.794103 0.601654 0.936559 Ag\n0.705897 0.898346 0.436559 Ag\n0.387035 0.259161 0.300438 B\n0.112965 0.240839 0.800438 B\n0.887035 0.240839 0.699562 B\n0.612965 0.259161 0.199562 B\n0.612965 0.740839 0.699562 B\n0.887035 0.759161 0.199562 B\n0.112965 0.759161 0.300438 B\n0.387035 0.740839 0.800438 B\n0.484012 0.297455 0.350483 B\n0.015988 0.202545 0.850483 B\n0.984012 0.202545 0.649517 B\n0.515988 0.297455 0.149517 B\n0.515988 0.702545 0.649517 B\n0.984012 0.797455 0.149517 B\n0.015988 0.797455 0.350483 B\n0.484012 0.702545 0.850483 B\n0.577584 0.219111 0.308457 B\n0.922416 0.280889 0.808457 B\n0.077584 0.280889 0.691543 B\n0.422416 0.219111 0.191543 B\n0.422416 0.780889 0.691543 B\n0.077584 0.719111 0.191543 B\n0.922416 0.719111 0.308457 B\n0.577584 0.780889 0.808457 B\n0.559243 0.355316 0.261676 B\n0.940757 0.144684 0.761676 B\n0.059243 0.144684 0.738324 B\n0.440757 0.355316 0.238324 B\n0.440757 0.644684 0.738324 B\n0.059243 0.855316 0.238324 B\n0.940757 0.855316 0.261676 B\n0.559243 0.644684 0.761676 B\n0.465542 0.162270 0.303261 B\n0.034458 0.337730 0.803261 B\n0.965542 0.337730 0.696739 B\n0.534458 0.162270 0.196739 B\n0.534458 0.837730 0.696739 B\n0.965542 0.662270 0.196739 B\n0.034458 0.662270 0.303261 B\n0.465542 0.837730 0.803261 B\n0.801749 0.946265 0.026535 H\n0.698251 0.553735 0.526535 H\n0.301749 0.553735 0.973465 H\n0.198251 0.946265 0.473465 H\n0.198251 0.053735 0.973465 H\n0.301749 0.446265 0.473465 H\n0.698251 0.446265 0.026535 H\n0.801749 0.053735 0.526535 H\n0.859403 0.057165 0.028841 H\n0.640597 0.442835 0.528841 H\n0.359403 0.442835 0.971159 H\n0.140597 0.057165 0.471159 H\n0.140597 0.942835 0.971159 H\n0.359403 0.557165 0.471159 H\n0.640597 0.557165 0.028841 H\n0.859403 0.942835 0.528841 H\n0.777480 0.038755 0.105092 H\n0.722520 0.461245 0.605092 H\n0.277480 0.461245 0.894908 H\n0.222520 0.038755 0.394908 H\n0.222520 0.961245 0.894908 H\n0.277480 0.538755 0.394908 H\n0.722520 0.538755 0.105092 H\n0.777480 0.961245 0.605092 H\n0.588598 0.120220 0.791223 H\n0.911402 0.379780 0.291223 H\n0.088598 0.379780 0.208777 H\n0.411402 0.120220 0.708777 H\n0.411402 0.879780 0.208777 H\n0.088598 0.620220 0.708777 H\n0.911402 0.620220 0.791223 H\n0.588598 0.879780 0.291223 H\n0.563047 0.211484 0.872287 H\n0.936953 0.288516 0.372287 H\n0.063047 0.288516 0.127713 H\n0.436953 0.211484 0.627713 H\n0.436953 0.788516 0.127713 H\n0.063047 0.711484 0.627713 H\n0.936953 0.711484 0.872287 H\n0.563047 0.788516 0.372287 H\n0.645647 0.232831 0.796774 H\n0.854353 0.267169 0.296774 H\n0.145647 0.267169 0.203226 H\n0.354353 0.232831 0.703226 H\n0.354353 0.767169 0.203226 H\n0.145647 0.732831 0.703226 H\n0.854353 0.732831 0.796774 H\n0.645647 0.767169 0.296774 H\n0.796737 0.027038 0.035993 N\n0.703263 0.472962 0.535993 N\n0.296737 0.472962 0.964007 N\n0.203263 0.027038 0.464007 N\n0.203263 0.972962 0.964007 N\n0.296737 0.527038 0.464007 N\n0.703263 0.527038 0.035993 N\n0.796737 0.972962 0.535993 N\n0.614219 0.176203 0.836817 N\n0.885781 0.323797 0.336817 N\n0.114219 0.323797 0.163183 N\n0.385781 0.176203 0.663183 N\n0.385781 0.823797 0.163183 N\n0.114219 0.676203 0.663183 N\n0.885781 0.676203 0.836817 N\n0.614219 0.823797 0.336817 N\n0.277682 0.261441 0.349060 Cl\n0.222318 0.238559 0.849060 Cl\n0.777682 0.238559 0.650940 Cl\n0.722318 0.261441 0.150940 Cl\n0.722318 0.738559 0.650940 Cl\n0.777682 0.761441 0.150940 Cl\n0.222318 0.761441 0.349060 Cl\n0.277682 0.738559 0.849060 Cl\n0.485768 0.345999 0.471962 Cl\n0.014232 0.154001 0.971962 Cl\n0.985768 0.154001 0.528038 Cl\n0.514232 0.345999 0.028038 Cl\n0.514232 0.654001 0.528038 Cl\n0.985768 0.845999 0.028038 Cl\n0.014232 0.845999 0.471962 Cl\n0.485768 0.654001 0.971962 Cl\n0.656189 0.168701 0.393906 Cl\n0.843811 0.331299 0.893906 Cl\n0.156189 0.331299 0.606094 Cl\n0.343811 0.168701 0.106094 Cl\n0.343811 0.831299 0.606094 Cl\n0.156189 0.668701 0.106094 Cl\n0.843811 0.668701 0.393906 Cl\n0.656189 0.831299 0.893906 Cl\n0.614231 0.479872 0.287111 Cl\n0.885769 0.020128 0.787111 Cl\n0.114231 0.020128 0.712889 Cl\n0.385769 0.479872 0.212889 Cl\n0.385769 0.520128 0.712889 Cl\n0.114231 0.979872 0.212889 Cl\n0.885769 0.979872 0.287111 Cl\n0.614231 0.520128 0.787111 Cl\n0.442255 0.037589 0.362672 Cl\n0.057745 0.462411 0.862672 Cl\n0.942255 0.462411 0.637328 Cl\n0.557745 0.037589 0.137328 Cl\n0.557745 0.962411 0.637328 Cl\n0.942255 0.537589 0.137328 Cl\n0.057745 0.537589 0.362672 Cl\n0.442255 0.962411 0.862672 Cl\n",
            "nsites": 152,
            "nelements": 5,
            "elements": [
                "Ag",
                "B",
                "H",
                "N",
                "Cl"
            ],
            "chemical_system": "Ag-B-Cl-H-N",
            "density": 1.8715554339533944,
            "density_atomic": 0.05737309339968062,
            "volume": 2649.325511195918,
            "volume_molar": 10.496454702289983,
            "formula_full": "Ag8 B40 H48 N16 Cl40",
            "formula_reduced": "AgB5H6N2Cl5",
            "formula_anonymous": "AB2C5D5E6",
            "energy": -770.61823403,
            "energy_per_atom": -5.069856802828948,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -740.2822340299999,
            "band_gap": 2.7748,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.300868,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:27.123000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-557071",
            "created_at": "2022-09-04T14:41:08.218462Z",
            "structure_string": "K8 Bi48 Cl8 O72\n1.0\n-8.716377 8.716377 8.716377\n8.716377 -8.716377 8.716377\n8.716377 8.716377 -8.716377\nK Bi Cl O\n8 48 8 72\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.486059 0.750000 0.236059 Bi\n0.750000 0.513941 0.763941 Bi\n0.513941 0.763941 0.750000 Bi\n0.236059 0.250000 0.486059 Bi\n0.269073 0.538145 0.519073 Bi\n0.750000 0.980927 0.519073 Bi\n0.250000 0.763941 0.513941 Bi\n0.038145 0.769073 0.019073 Bi\n0.236059 0.486059 0.750000 Bi\n0.986059 0.750000 0.736059 Bi\n0.961855 0.230927 0.980927 Bi\n0.519073 0.750000 0.980927 Bi\n0.980927 0.519073 0.750000 Bi\n0.013941 0.263941 0.750000 Bi\n0.461855 0.480927 0.730927 Bi\n0.769073 0.250000 0.730927 Bi\n0.019073 0.038145 0.769073 Bi\n0.750000 0.269073 0.230927 Bi\n0.750000 0.013941 0.263941 Bi\n0.980927 0.961855 0.230927 Bi\n0.250000 0.486059 0.236059 Bi\n0.730927 0.769073 0.250000 Bi\n0.019073 0.480927 0.250000 Bi\n0.250000 0.019073 0.480927 Bi\n0.519073 0.269073 0.538145 Bi\n0.013941 0.250000 0.263941 Bi\n0.480927 0.730927 0.461855 Bi\n0.269073 0.230927 0.750000 Bi\n0.513941 0.250000 0.763941 Bi\n0.763941 0.750000 0.513941 Bi\n0.480927 0.250000 0.019073 Bi\n0.263941 0.013941 0.250000 Bi\n0.736059 0.986059 0.750000 Bi\n0.230927 0.980927 0.961855 Bi\n0.769073 0.019073 0.038145 Bi\n0.986059 0.736059 0.250000 Bi\n0.538145 0.519073 0.269073 Bi\n0.750000 0.736059 0.986059 Bi\n0.263941 0.750000 0.013941 Bi\n0.763941 0.513941 0.250000 Bi\n0.250000 0.730927 0.769073 Bi\n0.736059 0.250000 0.986059 Bi\n0.230927 0.750000 0.269073 Bi\n0.730927 0.461855 0.480927 Bi\n0.486059 0.236059 0.250000 Bi\n0.250000 0.986059 0.736059 Bi\n0.750000 0.236059 0.486059 Bi\n0.250000 0.263941 0.013941 Bi\n0.250000 0.250000 0.250000 Cl\n0.500000 0.000000 0.250000 Cl\n0.000000 0.250000 0.500000 Cl\n0.750000 0.750000 0.750000 Cl\n0.750000 0.500000 0.000000 Cl\n0.000000 0.750000 0.500000 Cl\n0.250000 0.500000 0.000000 Cl\n0.500000 0.000000 0.750000 Cl\n0.893905 0.787809 0.143905 O\n0.287809 0.393905 0.643905 O\n0.287338 0.937548 0.347665 O\n0.152335 0.562452 0.212662 O\n0.089883 0.650210 0.937548 O\n0.939673 0.152335 0.089883 O\n0.910117 0.060327 0.847665 O\n0.652335 0.439673 0.589883 O\n0.652335 0.712662 0.062452 O\n0.643905 0.287809 0.393905 O\n0.712662 0.062452 0.652335 O\n0.060327 0.847665 0.910117 O\n0.562452 0.212662 0.152335 O\n0.849790 0.939673 0.287338 O\n0.356095 0.712191 0.606095 O\n0.143905 0.893905 0.787809 O\n0.439673 0.349790 0.787338 O\n0.589883 0.437548 0.150210 O\n0.150210 0.589883 0.437548 O\n0.787338 0.439673 0.349790 O\n0.060327 0.712662 0.150210 O\n0.910117 0.349790 0.062452 O\n0.089883 0.939673 0.152335 O\n0.937548 0.089883 0.650210 O\n0.349790 0.787338 0.439673 O\n0.589883 0.652335 0.439673 O\n0.437548 0.787338 0.847665 O\n0.712662 0.150210 0.060327 O\n0.062452 0.652335 0.712662 O\n0.856095 0.250000 0.643905 O\n0.439673 0.589883 0.652335 O\n0.152335 0.089883 0.939673 O\n0.712191 0.606095 0.356095 O\n0.606095 0.356095 0.712191 O\n0.347665 0.287338 0.937548 O\n0.393905 0.250000 0.106095 O\n0.212662 0.560327 0.650210 O\n0.937548 0.347665 0.287338 O\n0.287338 0.849790 0.939673 O\n0.212662 0.152335 0.562452 O\n0.787338 0.847665 0.437548 O\n0.150210 0.060327 0.712662 O\n0.347665 0.560327 0.410117 O\n0.643905 0.856095 0.250000 O\n0.410117 0.562452 0.849790 O\n0.560327 0.410117 0.347665 O\n0.849790 0.410117 0.562452 O\n0.106095 0.393905 0.250000 O\n0.393905 0.643905 0.287809 O\n0.650210 0.212662 0.560327 O\n0.856095 0.106095 0.212191 O\n0.606095 0.750000 0.893905 O\n0.787809 0.143905 0.893905 O\n0.410117 0.347665 0.560327 O\n0.750000 0.893905 0.606095 O\n0.349790 0.062452 0.910117 O\n0.212191 0.856095 0.106095 O\n0.143905 0.750000 0.356095 O\n0.250000 0.106095 0.393905 O\n0.356095 0.143905 0.750000 O\n0.062452 0.910117 0.349790 O\n0.939673 0.287338 0.849790 O\n0.650210 0.937548 0.089883 O\n0.562452 0.849790 0.410117 O\n0.847665 0.437548 0.787338 O\n0.560327 0.650210 0.212662 O\n0.893905 0.606095 0.750000 O\n0.437548 0.150210 0.589883 O\n0.750000 0.356095 0.143905 O\n0.847665 0.910117 0.060327 O\n0.250000 0.643905 0.856095 O\n0.106095 0.212191 0.856095 O\n",
            "nsites": 136,
            "nelements": 4,
            "elements": [
                "K",
                "Bi",
                "Cl",
                "O"
            ],
            "chemical_system": "Bi-Cl-K-O",
            "density": 7.384230264538137,
            "density_atomic": 0.05134177733716197,
            "volume": 2648.9149198495143,
            "volume_molar": 11.729513609263156,
            "formula_full": "K8 Bi48 Cl8 O72",
            "formula_reduced": "KBi6ClO9",
            "formula_anonymous": "ABC6D9",
            "energy": -798.7928581,
            "energy_per_atom": -5.873476897794117,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -744.4168581,
            "band_gap": 2.3531000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1742616,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.970000Z",
            "spacegroup": 230
        },
        {
            "id": "mp-567526",
            "created_at": "2022-09-04T14:41:53.451830Z",
            "structure_string": "Sr18 Mg72\n1.0\n5.231610 -9.061415 0.000000\n5.231610 9.061415 0.000000\n0.000000 0.000000 27.916522\nSr Mg\n18 72\ndirect\n0.135659 0.864341 0.061597 Sr\n0.864341 0.135659 0.938403 Sr\n0.940353 0.470176 0.250000 Sr\n0.135659 0.271318 0.061597 Sr\n0.470176 0.529824 0.750000 Sr\n0.864341 0.728682 0.938403 Sr\n0.864341 0.728682 0.561597 Sr\n0.529824 0.470176 0.250000 Sr\n0.728682 0.864341 0.061597 Sr\n0.135659 0.271318 0.438403 Sr\n0.271318 0.135659 0.938403 Sr\n0.728682 0.864341 0.438403 Sr\n0.135659 0.864341 0.438403 Sr\n0.529824 0.059647 0.250000 Sr\n0.864341 0.135659 0.561597 Sr\n0.271318 0.135659 0.561597 Sr\n0.470176 0.940353 0.750000 Sr\n0.059647 0.529824 0.750000 Sr\n0.000000 0.000000 0.341551 Mg\n0.832267 0.664534 0.346608 Mg\n0.233873 0.766127 0.945402 Mg\n0.832267 0.664534 0.153392 Mg\n0.647788 0.823894 0.188078 Mg\n0.333333 0.666667 0.851585 Mg\n0.666667 0.333333 0.351585 Mg\n0.176106 0.823894 0.188078 Mg\n0.000000 0.000000 0.658449 Mg\n0.832267 0.167733 0.346608 Mg\n0.766127 0.233873 0.445402 Mg\n0.511518 0.488482 0.881404 Mg\n0.532255 0.766127 0.554598 Mg\n0.823894 0.176106 0.688078 Mg\n0.766127 0.532255 0.054598 Mg\n0.167733 0.335466 0.653392 Mg\n0.167733 0.335466 0.846608 Mg\n0.335466 0.167733 0.153392 Mg\n0.023037 0.511518 0.381404 Mg\n0.176106 0.352212 0.311922 Mg\n0.532255 0.766127 0.945402 Mg\n0.333333 0.666667 0.648415 Mg\n0.333333 0.666667 0.045967 Mg\n0.000000 0.000000 0.841551 Mg\n0.500000 0.000000 0.500000 Mg\n0.901005 0.802010 0.250000 Mg\n0.335466 0.167733 0.346608 Mg\n0.511518 0.023037 0.618596 Mg\n0.766127 0.532255 0.445402 Mg\n0.511518 0.488482 0.618596 Mg\n0.233873 0.766127 0.554598 Mg\n0.666667 0.333333 0.148415 Mg\n0.766127 0.233873 0.054598 Mg\n0.233873 0.467745 0.945402 Mg\n0.352212 0.176106 0.688078 Mg\n0.000000 0.000000 0.158449 Mg\n0.000000 0.500000 0.500000 Mg\n0.802010 0.901005 0.750000 Mg\n0.666667 0.333333 0.954033 Mg\n0.976963 0.488482 0.881404 Mg\n0.467745 0.233873 0.054598 Mg\n0.976963 0.488482 0.618596 Mg\n0.488482 0.976963 0.381404 Mg\n0.167733 0.832267 0.846608 Mg\n0.488482 0.511518 0.118596 Mg\n0.823894 0.176106 0.811922 Mg\n0.823894 0.647788 0.688078 Mg\n0.176106 0.352212 0.188078 Mg\n0.500000 0.500000 0.500000 Mg\n0.664534 0.832267 0.846608 Mg\n0.488482 0.976963 0.118596 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.098995 0.901005 0.750000 Mg\n0.333333 0.666667 0.454033 Mg\n0.664534 0.832267 0.653392 Mg\n0.197990 0.098995 0.250000 Mg\n0.901005 0.098995 0.250000 Mg\n0.023037 0.511518 0.118596 Mg\n0.823894 0.647788 0.811922 Mg\n0.167733 0.832267 0.653392 Mg\n0.832267 0.167733 0.153392 Mg\n0.647788 0.823894 0.311922 Mg\n0.500000 0.000000 0.000000 Mg\n0.098995 0.197990 0.750000 Mg\n0.511518 0.023037 0.881404 Mg\n0.176106 0.823894 0.311922 Mg\n0.666667 0.333333 0.545967 Mg\n0.467745 0.233873 0.445402 Mg\n0.488482 0.511518 0.381404 Mg\n0.352212 0.176106 0.811922 Mg\n0.233873 0.467745 0.554598 Mg\n",
            "nsites": 90,
            "nelements": 2,
            "elements": [
                "Sr",
                "Mg"
            ],
            "chemical_system": "Mg-Sr",
            "density": 2.08734806738797,
            "density_atomic": 0.034003202448789085,
            "volume": 2646.8095214133295,
            "volume_molar": 17.710510558732558,
            "formula_full": "Sr18 Mg72",
            "formula_reduced": "SrMg4",
            "formula_anonymous": "AB4",
            "energy": -140.00573581,
            "energy_per_atom": -1.5556192867777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -140.00573581,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.5777331,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.589000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1212978",
            "created_at": "2022-09-04T14:43:06.451595Z",
            "structure_string": "K14 Nb28 P18 O120\n1.0\n-0.000000 0.000000 -6.551507\n0.000000 -10.787074 0.000000\n-37.450442 0.000000 -0.000000\nK Nb P O\n14 28 18 120\ndirect\n0.456732 0.500000 0.750000 K\n0.543268 0.500000 0.250000 K\n0.966663 0.000000 0.388343 K\n0.033337 0.000000 0.611657 K\n0.966663 0.000000 0.111657 K\n0.033337 0.000000 0.888343 K\n0.755870 0.500000 0.392926 K\n0.244130 0.500000 0.607074 K\n0.755870 0.500000 0.107074 K\n0.244130 0.500000 0.892926 K\n0.274257 0.000000 0.750000 K\n0.725743 0.000000 0.250000 K\n-0.000000 0.000000 0.000000 K\n-0.000000 0.000000 0.500000 K\n0.519933 0.000000 0.946365 Nb\n0.480067 0.000000 0.053635 Nb\n0.519933 0.000000 0.553635 Nb\n0.480067 0.000000 0.446365 Nb\n0.954550 0.683572 0.750000 Nb\n0.045450 0.316428 0.250000 Nb\n0.954550 0.316428 0.750000 Nb\n0.045450 0.683572 0.250000 Nb\n0.743823 0.675657 0.945135 Nb\n0.256177 0.324343 0.054865 Nb\n0.743823 0.324343 0.554865 Nb\n0.256177 0.675657 0.054865 Nb\n0.256177 0.675657 0.445135 Nb\n0.743823 0.324343 0.945135 Nb\n0.256177 0.324343 0.445135 Nb\n0.743823 0.675657 0.554865 Nb\n0.753668 0.677686 0.842455 Nb\n0.246332 0.322314 0.157545 Nb\n0.753668 0.322314 0.657545 Nb\n0.246332 0.677686 0.157545 Nb\n0.246332 0.677686 0.342455 Nb\n0.753668 0.322314 0.842455 Nb\n0.246332 0.322314 0.342455 Nb\n0.753668 0.677686 0.657545 Nb\n0.544447 0.000000 0.841761 Nb\n0.455553 0.000000 0.158239 Nb\n0.544447 0.000000 0.658239 Nb\n0.455553 0.000000 0.341761 Nb\n0.754475 0.738184 0.460686 P\n0.245525 0.261816 0.539314 P\n0.754475 0.261816 0.039314 P\n0.245525 0.738184 0.539314 P\n0.245525 0.738184 0.960686 P\n0.754475 0.261816 0.460686 P\n0.245525 0.261816 0.960686 P\n0.754475 0.738184 0.039314 P\n0.772707 0.000000 0.750000 P\n0.227293 0.000000 0.250000 P\n0.746082 0.738214 0.324247 P\n0.253918 0.261786 0.675753 P\n0.746082 0.261786 0.175753 P\n0.253918 0.738214 0.675753 P\n0.253918 0.738214 0.824247 P\n0.746082 0.261786 0.324247 P\n0.253918 0.261786 0.824247 P\n0.746082 0.738214 0.175753 P\n0.431438 0.661999 0.947483 O\n0.568562 0.338001 0.052517 O\n0.431438 0.338001 0.552517 O\n0.568562 0.661999 0.052517 O\n0.568562 0.661999 0.447483 O\n0.431438 0.338001 0.947483 O\n0.568562 0.338001 0.447483 O\n0.431438 0.661999 0.552517 O\n0.789134 0.699564 0.285456 O\n0.210866 0.300436 0.714544 O\n0.789134 0.300436 0.214544 O\n0.210866 0.699564 0.714544 O\n0.210866 0.699564 0.785456 O\n0.789134 0.300436 0.285456 O\n0.210866 0.300436 0.785456 O\n0.789134 0.699564 0.214544 O\n0.933047 0.703656 0.348246 O\n0.066953 0.296344 0.651754 O\n0.933047 0.296344 0.151754 O\n0.066953 0.703656 0.651754 O\n0.066953 0.703656 0.848246 O\n0.933047 0.296344 0.348246 O\n0.066953 0.296344 0.848246 O\n0.933047 0.703656 0.151754 O\n0.298743 0.877165 0.827053 O\n0.701257 0.122835 0.172947 O\n0.298743 0.122835 0.672947 O\n0.701257 0.877165 0.172947 O\n0.701257 0.877165 0.327053 O\n0.298743 0.122835 0.827053 O\n0.701257 0.122835 0.327053 O\n0.298743 0.877165 0.672947 O\n0.632678 0.000000 0.783588 O\n0.367322 0.000000 0.216412 O\n0.632678 0.000000 0.716412 O\n0.367322 0.000000 0.283588 O\n0.917834 0.883938 0.750000 O\n0.082166 0.116062 0.250000 O\n0.917834 0.116062 0.750000 O\n0.082166 0.883938 0.250000 O\n0.945713 0.681937 0.442200 O\n0.054287 0.318063 0.557800 O\n0.945713 0.318063 0.057800 O\n0.054287 0.681937 0.557800 O\n0.054287 0.681937 0.942200 O\n0.945713 0.318063 0.442200 O\n0.054287 0.318063 0.942200 O\n0.945713 0.681937 0.057800 O\n0.464359 0.000000 0.890933 O\n0.535641 0.000000 0.109067 O\n0.464359 0.000000 0.609067 O\n0.535641 0.000000 0.390933 O\n0.723748 0.863311 0.846740 O\n0.276252 0.136689 0.153260 O\n0.723748 0.136689 0.653260 O\n0.276252 0.863311 0.153260 O\n0.276252 0.863311 0.346740 O\n0.723748 0.136689 0.846740 O\n0.276252 0.136689 0.346740 O\n0.723748 0.863311 0.653260 O\n0.774884 0.683228 0.789636 O\n0.225116 0.316772 0.210364 O\n0.774884 0.316772 0.710364 O\n0.225116 0.683228 0.210364 O\n0.225116 0.683228 0.289636 O\n0.774884 0.316772 0.789636 O\n0.225116 0.316772 0.289636 O\n0.774884 0.683228 0.710364 O\n0.704418 0.866403 0.941569 O\n0.295582 0.133597 0.058431 O\n0.704418 0.133597 0.558431 O\n0.295582 0.866403 0.058431 O\n0.295582 0.866403 0.441569 O\n0.704418 0.133597 0.941569 O\n0.295582 0.133597 0.441569 O\n0.704418 0.866403 0.558431 O\n0.735472 0.660622 0.895426 O\n0.264528 0.339378 0.104574 O\n0.735472 0.339378 0.604574 O\n0.264528 0.660622 0.104574 O\n0.264528 0.660622 0.395426 O\n0.735472 0.339378 0.895426 O\n0.264528 0.339378 0.395426 O\n0.735472 0.660622 0.604574 O\n0.788869 0.500000 0.840386 O\n0.211131 0.500000 0.159614 O\n0.788869 0.500000 0.659614 O\n0.211131 0.500000 0.340386 O\n0.739629 0.874002 0.448702 O\n0.260371 0.125998 0.551298 O\n0.739629 0.125998 0.051298 O\n0.260371 0.874002 0.551298 O\n0.260371 0.874002 0.948702 O\n0.739629 0.125998 0.448702 O\n0.260371 0.125998 0.948702 O\n0.739629 0.874002 0.051298 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.772299 0.726421 0.998790 O\n0.227701 0.273579 0.001210 O\n0.772299 0.273579 0.501210 O\n0.227701 0.726421 0.001210 O\n0.227701 0.726421 0.498790 O\n0.772299 0.273579 0.998790 O\n0.227701 0.273579 0.498790 O\n0.772299 0.726421 0.501210 O\n0.439952 0.661803 0.838666 O\n0.560048 0.338197 0.161334 O\n0.439952 0.338197 0.661334 O\n0.560048 0.661803 0.161334 O\n0.560048 0.661803 0.338666 O\n0.439952 0.338197 0.838666 O\n0.560048 0.338197 0.338666 O\n0.439952 0.661803 0.661334 O\n0.752461 0.500000 0.955658 O\n0.247539 0.500000 0.044342 O\n0.752461 0.500000 0.544342 O\n0.247539 0.500000 0.455658 O\n0.984484 0.500000 0.750000 O\n0.015516 0.500000 0.250000 O\n",
            "nsites": 180,
            "nelements": 4,
            "elements": [
                "K",
                "Nb",
                "P",
                "O"
            ],
            "chemical_system": "K-Nb-O-P",
            "density": 3.5299070005546107,
            "density_atomic": 0.06800967351125169,
            "volume": 2646.682313071542,
            "volume_molar": 8.854829686844008,
            "formula_full": "K14 Nb28 P18 O120",
            "formula_reduced": "K7Nb14(P3O20)3",
            "formula_anonymous": "A7B9C14D60",
            "energy": -1515.9035751400002,
            "energy_per_atom": -8.421686528555556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1433.46357514,
            "band_gap": 0.0907999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0049603,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:55.531000Z",
            "spacegroup": 51
        },
        {
            "id": "mp-570066",
            "created_at": "2022-09-04T14:42:09.780036Z",
            "structure_string": "K4 Zr24 C4 Cl60\n1.0\n9.914309 0.000000 0.000000\n0.000000 14.132583 0.000000\n0.000000 0.000000 18.888916\nK Zr C Cl\n4 24 4 60\ndirect\n0.668996 0.252588 0.750000 K\n0.668996 0.747412 0.750000 K\n0.331004 0.252588 0.250000 K\n0.331004 0.747412 0.250000 K\n0.345190 0.384732 0.970250 Zr\n0.158391 0.115551 0.836498 Zr\n0.841609 0.884449 0.163502 Zr\n0.654810 0.615268 0.470250 Zr\n0.654810 0.384732 0.470250 Zr\n0.654810 0.384732 0.029750 Zr\n0.580229 0.500000 0.612854 Zr\n0.345190 0.384732 0.529750 Zr\n0.345190 0.615268 0.529750 Zr\n0.654810 0.615268 0.029750 Zr\n0.841609 0.884449 0.336498 Zr\n0.158391 0.115551 0.663502 Zr\n0.580229 0.500000 0.887146 Zr\n0.928479 0.000000 0.750000 Zr\n0.841609 0.115551 0.163502 Zr\n0.419771 0.500000 0.112854 Zr\n0.345190 0.615268 0.970250 Zr\n0.158391 0.884449 0.663502 Zr\n0.071521 0.000000 0.250000 Zr\n0.614337 0.000000 0.250000 Zr\n0.419771 0.500000 0.387146 Zr\n0.841609 0.115551 0.336498 Zr\n0.385663 0.000000 0.750000 Zr\n0.158391 0.884449 0.836498 Zr\n0.156647 0.000000 0.750000 C\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.843353 0.000000 0.250000 C\n0.415340 0.125711 0.655506 Cl\n0.500000 0.246878 0.500000 Cl\n0.164215 0.250684 0.936050 Cl\n0.500000 0.753122 0.500000 Cl\n0.584660 0.874289 0.344494 Cl\n0.580563 0.625318 0.158860 Cl\n0.839904 0.500000 0.065460 Cl\n0.099829 0.126777 0.345689 Cl\n0.759489 0.627507 0.594539 Cl\n0.900171 0.126777 0.845689 Cl\n0.842062 0.000000 0.060182 Cl\n0.240511 0.372493 0.405461 Cl\n0.500000 0.246878 0.000000 Cl\n0.160096 0.500000 0.934540 Cl\n0.320173 0.500000 0.250000 Cl\n0.500000 0.753122 0.000000 Cl\n0.157938 0.000000 0.560182 Cl\n0.419437 0.374682 0.658860 Cl\n0.415340 0.874289 0.844494 Cl\n0.240511 0.372493 0.094539 Cl\n0.842062 0.000000 0.439818 Cl\n0.900171 0.873223 0.845689 Cl\n0.099829 0.126777 0.154311 Cl\n0.839904 0.500000 0.434540 Cl\n0.580563 0.625318 0.341140 Cl\n0.164215 0.749316 0.563950 Cl\n0.584660 0.874289 0.155506 Cl\n0.657771 0.000000 0.750000 Cl\n0.849438 0.746312 0.250000 Cl\n0.419437 0.625318 0.841140 Cl\n0.835785 0.250684 0.063950 Cl\n0.759489 0.372493 0.905461 Cl\n0.584660 0.125711 0.344494 Cl\n0.835785 0.749316 0.063950 Cl\n0.342229 0.000000 0.250000 Cl\n0.580563 0.374682 0.341140 Cl\n0.759489 0.372493 0.594539 Cl\n0.849438 0.253688 0.250000 Cl\n0.679827 0.500000 0.750000 Cl\n0.164215 0.250684 0.563950 Cl\n0.160096 0.500000 0.565460 Cl\n0.099829 0.873223 0.345689 Cl\n0.240511 0.627507 0.405461 Cl\n0.900171 0.873223 0.654311 Cl\n0.415340 0.125711 0.844494 Cl\n0.240511 0.627507 0.094539 Cl\n0.419437 0.625318 0.658860 Cl\n0.099829 0.873223 0.154311 Cl\n0.164215 0.749316 0.936050 Cl\n0.415340 0.874289 0.655506 Cl\n0.157938 0.000000 0.939818 Cl\n0.150562 0.746312 0.750000 Cl\n0.759489 0.627507 0.905461 Cl\n0.580563 0.374682 0.158860 Cl\n0.900171 0.126777 0.654311 Cl\n0.835785 0.749316 0.436050 Cl\n0.419437 0.374682 0.841140 Cl\n0.584660 0.125711 0.155506 Cl\n0.150562 0.253688 0.750000 Cl\n0.835785 0.250684 0.436050 Cl\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "K",
                "Zr",
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl-K-Zr",
            "density": 2.8365588972820257,
            "density_atomic": 0.03476136299868854,
            "volume": 2646.6165899038806,
            "volume_molar": 17.32423656755692,
            "formula_full": "K4 Zr24 C4 Cl60",
            "formula_reduced": "KZr6CCl15",
            "formula_anonymous": "ABC6D15",
            "energy": -559.7532197,
            "energy_per_atom": -6.084274127173914,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -522.9132197,
            "band_gap": 1.0586000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0046045,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.600000Z",
            "spacegroup": 51
        },
        {
            "id": "mp-1245311",
            "created_at": "2022-09-04T14:40:37.220952Z",
            "structure_string": "Ba50 O50\n1.0\n13.952266 -0.387149 0.151048\n-0.407562 13.938550 -0.464359\n0.141963 -0.436385 13.628525\nBa O\n50 50\ndirect\n0.504869 0.268225 0.776141 Ba\n0.967781 0.828696 0.601817 Ba\n0.885909 0.184933 0.077911 Ba\n0.129794 0.839146 0.027994 Ba\n0.139166 0.088165 0.099641 Ba\n0.751927 0.951715 0.514350 Ba\n0.747876 0.607211 0.452825 Ba\n0.891117 0.880409 0.149298 Ba\n0.936555 0.517206 0.632312 Ba\n0.935352 0.998523 0.847056 Ba\n0.717049 0.662143 0.148273 Ba\n0.244965 0.140781 0.558663 Ba\n0.438572 0.898683 0.742446 Ba\n0.174567 0.538718 0.992509 Ba\n0.773104 0.269041 0.578391 Ba\n0.446678 0.174480 0.247013 Ba\n0.322128 0.286584 0.012195 Ba\n0.208471 0.869355 0.308091 Ba\n0.082860 0.352555 0.161247 Ba\n0.691124 0.109268 0.310692 Ba\n0.706555 0.530364 0.829387 Ba\n0.685356 0.003698 0.039382 Ba\n0.540748 0.883348 0.228419 Ba\n0.222403 0.561697 0.398781 Ba\n0.924961 0.699650 0.898660 Ba\n0.465049 0.028609 0.499099 Ba\n0.198072 0.051989 0.797007 Ba\n0.989797 0.387619 0.409667 Ba\n0.991297 0.143533 0.606908 Ba\n0.410873 0.002913 0.004816 Ba\n0.343875 0.704509 0.144260 Ba\n0.010428 0.685244 0.337334 Ba\n0.985692 0.081682 0.332846 Ba\n0.455827 0.514020 0.951984 Ba\n0.548510 0.760594 0.973713 Ba\n0.589790 0.291183 0.044969 Ba\n0.720052 0.762016 0.685132 Ba\n0.244092 0.847058 0.568754 Ba\n0.240799 0.278288 0.345083 Ba\n0.261772 0.733459 0.833099 Ba\n0.747600 0.382295 0.283170 Ba\n0.495056 0.500864 0.246893 Ba\n0.774796 0.274001 0.854242 Ba\n0.483902 0.349478 0.474360 Ba\n0.884175 0.479006 0.075784 Ba\n0.476832 0.591460 0.670991 Ba\n0.056255 0.288005 0.845273 Ba\n0.267668 0.400476 0.711394 Ba\n0.520421 0.789363 0.487094 Ba\n0.671852 0.026853 0.769454 Ba\n0.548530 0.929736 0.899697 O\n0.329660 0.007057 0.648182 O\n0.364148 0.878155 0.434994 O\n0.605239 0.653163 0.561060 O\n0.032975 0.411763 0.990409 O\n0.579350 0.909200 0.622422 O\n0.061143 0.996104 0.686116 O\n0.188280 0.686561 0.261126 O\n0.606475 0.960239 0.394804 O\n0.388011 0.186530 0.438505 O\n0.787682 0.594634 0.977530 O\n0.815802 0.782662 0.508353 O\n0.079340 0.941369 0.195786 O\n0.260740 0.913262 0.899372 O\n0.339404 0.655224 0.963797 O\n0.286064 0.426136 0.891088 O\n0.573899 0.638067 0.826008 O\n0.867279 0.662729 0.720068 O\n0.363033 0.736382 0.661442 O\n0.095540 0.827924 0.454010 O\n0.451390 0.187018 0.944591 O\n0.791899 0.105833 0.910789 O\n0.559869 0.055672 0.168383 O\n0.451819 0.396002 0.092147 O\n0.045466 0.554330 0.490509 O\n0.930905 0.411226 0.242496 O\n0.774233 0.325068 0.068766 O\n0.029135 0.186646 0.199258 O\n0.512412 0.648491 0.136267 O\n0.609138 0.381314 0.884633 O\n0.099302 0.181505 0.455511 O\n0.661782 0.200751 0.714394 O\n0.908203 0.292658 0.712878 O\n0.064954 0.135467 0.931389 O\n0.816669 0.438672 0.505547 O\n0.814062 0.933200 0.701187 O\n0.370367 0.442774 0.390326 O\n0.190015 0.235754 0.712696 O\n0.814413 0.057471 0.185675 O\n0.382959 0.876483 0.133967 O\n0.889199 0.711679 0.207412 O\n0.147836 0.419478 0.320233 O\n0.435979 0.395369 0.659797 O\n0.965004 0.871881 0.971307 O\n0.679435 0.836256 0.099628 O\n0.843152 0.123399 0.475328 O\n0.673212 0.538124 0.289098 O\n0.104933 0.674536 0.917277 O\n0.593762 0.275056 0.309080 O\n0.275472 0.201477 0.170545 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Ba",
                "O"
            ],
            "chemical_system": "Ba-O",
            "density": 4.8126216549446,
            "density_atomic": 0.03780468991734781,
            "volume": 2645.1744537153845,
            "volume_molar": 15.92961289503015,
            "formula_full": "Ba50 O50",
            "formula_reduced": "BaO",
            "formula_anonymous": "AB",
            "energy": -608.56582748,
            "energy_per_atom": -6.0856582748,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -574.21582748,
            "band_gap": 1.4539,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.892000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-685088",
            "created_at": "2022-09-04T14:41:19.151531Z",
            "structure_string": "Sc24 I50\n1.0\n13.045935 0.000000 0.000000\n0.315440 13.051004 0.000000\n0.456781 3.423615 15.530224\nSc I\n24 50\ndirect\n0.237498 0.198243 0.960832 Sc\n0.485677 0.406162 0.920826 Sc\n0.198669 0.000426 0.801780 Sc\n0.717439 0.595648 0.880730 Sc\n0.443000 0.199936 0.758487 Sc\n0.959940 0.801798 0.842515 Sc\n0.680914 0.400995 0.720497 Sc\n0.407309 0.000369 0.592911 Sc\n0.638235 0.197721 0.559419 Sc\n0.918572 0.593812 0.675768 Sc\n0.592691 0.999631 0.407089 Sc\n0.881589 0.401732 0.520341 Sc\n0.161047 0.799569 0.637027 Sc\n0.838953 0.200431 0.362973 Sc\n0.118411 0.598268 0.479659 Sc\n0.361765 0.802279 0.440581 Sc\n0.801331 0.999574 0.198220 Sc\n0.081428 0.406188 0.324232 Sc\n0.319086 0.599005 0.279503 Sc\n0.040060 0.198202 0.157485 Sc\n0.557000 0.800064 0.241513 Sc\n0.282561 0.404352 0.119270 Sc\n0.514323 0.593838 0.079174 Sc\n0.762502 0.801757 0.039168 Sc\n0.371877 0.037112 0.907446 I\n0.890050 0.635414 0.987753 I\n0.611745 0.237128 0.868162 I\n0.130513 0.836916 0.943939 I\n0.851834 0.435112 0.827995 I\n0.571958 0.035113 0.708097 I\n0.810162 0.236964 0.667297 I\n0.088128 0.637516 0.784960 I\n0.346738 0.565458 0.969017 I\n0.073832 0.163025 0.852035 I\n0.053212 0.433958 0.628160 I\n0.589070 0.760310 0.933910 I\n0.312940 0.362270 0.813808 I\n0.330733 0.839363 0.744520 I\n0.770733 0.035133 0.509086 I\n0.828644 0.959153 0.892530 I\n0.011591 0.237033 0.468641 I\n0.272332 0.161089 0.651848 I\n0.290737 0.635947 0.587088 I\n0.548428 0.565310 0.769897 I\n0.791050 0.759045 0.732984 I\n0.253418 0.436311 0.429501 I\n0.509859 0.364017 0.611703 I\n0.532689 0.830936 0.550417 I\n0.970434 0.037423 0.308209 I\n0.490141 0.635983 0.388297 I\n0.746582 0.563689 0.570499 I\n0.029566 0.962577 0.691791 I\n0.208950 0.240955 0.267016 I\n0.467311 0.169064 0.449583 I\n0.709263 0.364053 0.412912 I\n0.171356 0.040847 0.107470 I\n0.451572 0.434690 0.230103 I\n0.727668 0.838911 0.348152 I\n0.988409 0.762967 0.531359 I\n0.669267 0.160637 0.255480 I\n0.229267 0.964867 0.490914 I\n0.410930 0.239690 0.066090 I\n0.687060 0.637730 0.186192 I\n0.946788 0.566042 0.371840 I\n0.653262 0.434542 0.030983 I\n0.926168 0.836975 0.147965 I\n0.189838 0.763036 0.332703 I\n0.911872 0.362484 0.215040 I\n0.428042 0.964887 0.291903 I\n0.869487 0.163084 0.056061 I\n0.148166 0.564888 0.172005 I\n0.388255 0.762872 0.131838 I\n0.109950 0.364586 0.012247 I\n0.628123 0.962888 0.092554 I\n",
            "nsites": 74,
            "nelements": 2,
            "elements": [
                "Sc",
                "I"
            ],
            "chemical_system": "I-Sc",
            "density": 4.6622964297860205,
            "density_atomic": 0.0279856157445998,
            "volume": 2644.2155382727033,
            "volume_molar": 21.518700231428905,
            "formula_full": "Sc24 I50",
            "formula_reduced": "Sc12I25",
            "formula_anonymous": "A12B25",
            "energy": -331.49599556,
            "energy_per_atom": -4.479675615675675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.54599556,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2796232,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:28.358000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1197319",
            "created_at": "2022-09-04T14:40:31.474410Z",
            "structure_string": "Al8 Bi28 Ru4 Br8 Cl32\n1.0\n18.455601 0.000000 0.000000\n0.000000 10.055950 0.000000\n0.000000 5.192154 14.243039\nAl Bi Ru Br Cl\n8 28 4 8 32\ndirect\n0.320875 0.358397 0.943318 Al\n0.179125 0.358397 0.443318 Al\n0.679125 0.641603 0.056682 Al\n0.820875 0.641603 0.556682 Al\n0.368973 0.677867 0.154704 Al\n0.131027 0.677867 0.654704 Al\n0.631027 0.322133 0.845296 Al\n0.868973 0.322133 0.345296 Al\n0.904401 0.144305 0.029513 Bi\n0.595599 0.144305 0.529513 Bi\n0.095599 0.855695 0.970487 Bi\n0.404401 0.855695 0.470487 Bi\n0.928960 0.788400 0.076723 Bi\n0.571040 0.788400 0.576723 Bi\n0.071040 0.211600 0.923277 Bi\n0.428960 0.211600 0.423277 Bi\n0.181883 0.014105 0.142177 Bi\n0.318117 0.014105 0.642177 Bi\n0.818117 0.985895 0.857823 Bi\n0.681883 0.985895 0.357823 Bi\n0.094750 0.736875 0.237291 Bi\n0.405250 0.736875 0.737291 Bi\n0.905250 0.263125 0.762709 Bi\n0.594750 0.263125 0.262709 Bi\n0.970132 0.912008 0.276242 Bi\n0.529868 0.912008 0.776242 Bi\n0.029868 0.087992 0.723758 Bi\n0.470132 0.087992 0.223758 Bi\n0.057572 0.187526 0.187677 Bi\n0.442428 0.187526 0.687677 Bi\n0.942428 0.812474 0.812323 Bi\n0.557572 0.812474 0.312323 Bi\n0.128476 0.943001 0.354918 Bi\n0.371524 0.943001 0.854918 Bi\n0.871524 0.056999 0.645082 Bi\n0.628476 0.056999 0.145082 Bi\n0.033551 0.989153 0.089223 Ru\n0.466449 0.989153 0.589223 Ru\n0.966449 0.010847 0.910777 Ru\n0.533551 0.010847 0.410777 Ru\n0.805311 0.923434 0.145120 Br\n0.694689 0.923434 0.645120 Br\n0.194689 0.076566 0.854880 Br\n0.305311 0.076566 0.354880 Br\n0.039686 0.570934 0.087521 Br\n0.460314 0.570934 0.587521 Br\n0.960314 0.429066 0.912479 Br\n0.539686 0.429066 0.412479 Br\n0.402402 0.500034 0.961643 Cl\n0.097598 0.500034 0.461643 Cl\n0.597598 0.499966 0.038357 Cl\n0.902402 0.499966 0.538357 Cl\n0.351650 0.139011 0.016111 Cl\n0.148350 0.139011 0.516111 Cl\n0.648350 0.860989 0.983889 Cl\n0.851650 0.860989 0.483889 Cl\n0.313020 0.397684 0.794684 Cl\n0.186980 0.397684 0.294684 Cl\n0.686980 0.602316 0.205316 Cl\n0.813020 0.602316 0.705316 Cl\n0.217371 0.387419 0.002630 Cl\n0.282629 0.387419 0.502630 Cl\n0.782629 0.612581 0.997370 Cl\n0.717371 0.612581 0.497370 Cl\n0.273649 0.728346 0.065264 Cl\n0.226351 0.728346 0.565264 Cl\n0.726351 0.271654 0.934736 Cl\n0.773649 0.271654 0.434736 Cl\n0.459824 0.795830 0.076054 Cl\n0.040176 0.795830 0.576054 Cl\n0.540176 0.204170 0.923946 Cl\n0.959824 0.204170 0.423946 Cl\n0.392250 0.454289 0.205779 Cl\n0.107750 0.454289 0.705779 Cl\n0.607750 0.545711 0.794221 Cl\n0.892250 0.545711 0.294221 Cl\n0.348331 0.751037 0.271625 Cl\n0.151669 0.751037 0.771625 Cl\n0.651669 0.248963 0.728375 Cl\n0.848331 0.248963 0.228375 Cl\n",
            "nsites": 80,
            "nelements": 5,
            "elements": [
                "Al",
                "Bi",
                "Ru",
                "Br",
                "Cl"
            ],
            "chemical_system": "Al-Bi-Br-Cl-Ru",
            "density": 5.179671345689993,
            "density_atomic": 0.03026467578504186,
            "volume": 2643.34568023159,
            "volume_molar": 19.898249704615733,
            "formula_full": "Al8 Bi28 Ru4 Br8 Cl32",
            "formula_reduced": "Al2Bi7Ru(BrCl4)2",
            "formula_anonymous": "AB2C2D7E8",
            "energy": -336.85306224,
            "energy_per_atom": -4.210663278,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.20506224,
            "band_gap": 1.185,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0475798,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:02.635000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-560835",
            "created_at": "2022-09-04T14:43:06.746698Z",
            "structure_string": "Pr40 Se56 O4\n1.0\n-7.934424 7.934424 10.495218\n7.934424 -7.934424 10.495218\n7.934424 7.934424 -10.495218\nPr Se O\n40 56 4\ndirect\n0.561011 0.694503 0.124427 Pr\n0.188989 0.555497 0.375573 Pr\n0.688989 0.313417 0.633492 Pr\n0.292536 0.145557 0.593454 Pr\n0.179924 0.813417 0.624427 Pr\n0.133465 0.366535 0.500000 Pr\n0.457464 0.104443 0.906546 Pr\n0.800918 0.947897 0.593454 Pr\n0.552103 0.699082 0.406546 Pr\n0.570076 0.436583 0.875573 Pr\n0.366535 0.866535 0.233071 Pr\n0.116535 0.116535 0.733071 Pr\n0.957464 0.050918 0.353021 Pr\n0.895557 0.802103 0.353021 Pr\n0.633465 0.133465 0.766929 Pr\n0.186583 0.811011 0.366508 Pr\n0.383465 0.383465 0.266929 Pr\n0.563417 0.438989 0.133492 Pr\n0.697897 0.604443 0.646979 Pr\n0.949082 0.302103 0.906546 Pr\n0.854443 0.447897 0.146979 Pr\n0.395557 0.042536 0.093454 Pr\n0.792536 0.199082 0.146979 Pr\n0.197897 0.550918 0.093454 Pr\n0.354443 0.207464 0.406546 Pr\n0.686583 0.320076 0.375573 Pr\n0.063417 0.929924 0.124427 Pr\n0.866535 0.633465 0.500000 Pr\n0.444503 0.820076 0.633492 Pr\n0.944503 0.311011 0.624427 Pr\n0.052103 0.645557 0.853021 Pr\n0.616535 0.883465 0.000000 Pr\n0.883465 0.616535 0.000000 Pr\n0.449082 0.542536 0.646979 Pr\n0.300918 0.707464 0.853021 Pr\n0.805497 0.938989 0.875573 Pr\n0.061011 0.936583 0.866508 Pr\n0.070076 0.194503 0.133492 Pr\n0.679924 0.055497 0.366508 Pr\n0.305497 0.429924 0.866508 Pr\n0.491132 0.100339 0.346001 Se\n0.258868 0.149661 0.153999 Se\n0.979785 0.875000 0.604785 Se\n0.625000 0.520215 0.395215 Se\n0.991132 0.645131 0.390793 Se\n0.116893 0.335345 0.858880 Se\n0.353285 0.375023 0.663824 Se\n0.711199 0.689460 0.336176 Se\n0.476465 0.258014 0.141120 Se\n0.741986 0.883107 0.218452 Se\n0.939460 0.461199 0.836176 Se\n0.350339 0.241132 0.846001 Se\n0.270215 0.375000 0.395215 Se\n0.396715 0.874977 0.836176 Se\n0.585345 0.866893 0.358880 Se\n0.038801 0.560540 0.163824 Se\n0.354869 0.745661 0.346001 Se\n0.008014 0.366893 0.281548 Se\n0.995661 0.104869 0.846001 Se\n0.633107 0.914655 0.641120 Se\n0.399661 0.008868 0.653999 Se\n0.758868 0.604869 0.109207 Se\n0.125023 0.961199 0.521739 Se\n0.976465 0.835345 0.218452 Se\n0.479785 0.875000 0.104785 Se\n0.854869 0.508868 0.609207 Se\n0.754339 0.145131 0.653999 Se\n0.625023 0.103285 0.163824 Se\n0.899661 0.245661 0.390793 Se\n0.310540 0.646715 0.021739 Se\n0.395131 0.504339 0.153999 Se\n0.773535 0.414655 0.281548 Se\n0.508014 0.226465 0.641120 Se\n0.124977 0.146715 0.336176 Se\n0.211199 0.875023 0.021739 Se\n0.273535 0.991986 0.358880 Se\n0.625000 0.020215 0.895215 Se\n0.085345 0.726465 0.718452 Se\n0.133107 0.491986 0.718452 Se\n0.624977 0.288801 0.978261 Se\n0.495661 0.649661 0.890793 Se\n0.616893 0.758014 0.781548 Se\n0.439460 0.603285 0.478261 Se\n0.125000 0.729785 0.104785 Se\n0.853285 0.189460 0.978261 Se\n0.664655 0.523535 0.781548 Se\n0.254339 0.600339 0.609207 Se\n0.125000 0.229785 0.604785 Se\n0.164655 0.383107 0.141120 Se\n0.850339 0.004339 0.109207 Se\n0.538801 0.374977 0.478261 Se\n0.770215 0.375000 0.895215 Se\n0.810540 0.788801 0.663824 Se\n0.896715 0.060540 0.521739 Se\n0.895131 0.741132 0.890793 Se\n0.241986 0.023535 0.858880 Se\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
            "nsites": 100,
            "nelements": 3,
            "elements": [
                "Pr",
                "Se",
                "O"
            ],
            "chemical_system": "O-Pr-Se",
            "density": 6.35968924042202,
            "density_atomic": 0.03783709065897807,
            "volume": 2642.9093320437887,
            "volume_molar": 15.915972013485272,
            "formula_full": "Pr40 Se56 O4",
            "formula_reduced": "Pr10Se14O",
            "formula_anonymous": "AB10C14",
            "energy": -635.1475698099999,
            "energy_per_atom": -6.3514756981,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -605.96756981,
            "band_gap": 1.4217999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.65e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.290000Z",
            "spacegroup": 142
        },
        {
            "id": "mp-1202352",
            "created_at": "2022-09-04T14:40:52.231569Z",
            "structure_string": "B80 H144 C16 S8\n1.0\n-7.286799 0.000000 0.635885\n-0.205399 0.000000 -10.876928\n0.000000 -33.289531 0.000000\nB H C S\n80 144 16 8\ndirect\n0.766282 0.992499 0.862598 B\n0.233718 0.507501 0.362598 B\n0.233718 0.007501 0.137402 B\n0.766282 0.492499 0.637402 B\n0.754449 0.834094 0.876404 B\n0.245551 0.665906 0.376404 B\n0.245551 0.165906 0.123596 B\n0.754449 0.334094 0.623596 B\n0.627547 0.876644 0.834304 B\n0.372453 0.623356 0.334304 B\n0.372453 0.123356 0.165696 B\n0.627547 0.376644 0.665696 B\n0.768681 0.989387 0.809187 B\n0.231319 0.510613 0.309187 B\n0.231319 0.010613 0.190813 B\n0.768681 0.489387 0.690813 B\n0.965507 0.921198 0.879860 B\n0.034493 0.578802 0.379860 B\n0.034493 0.078802 0.120140 B\n0.965507 0.421198 0.620140 B\n0.947233 0.757362 0.865556 B\n0.052767 0.742638 0.365556 B\n0.052767 0.242638 0.134444 B\n0.947233 0.257362 0.634444 B\n0.736787 0.736008 0.834489 B\n0.263213 0.763992 0.334489 B\n0.263213 0.263992 0.165511 B\n0.736787 0.236008 0.665511 B\n0.746405 0.838990 0.789891 B\n0.253595 0.661010 0.289891 B\n0.253595 0.161010 0.210109 B\n0.746405 0.338990 0.710109 B\n0.965904 0.935553 0.787673 B\n0.034096 0.564447 0.287673 B\n0.034096 0.064447 0.212327 B\n0.965904 0.435553 0.712327 B\n0.975074 0.024143 0.835089 B\n0.024926 0.475857 0.335089 B\n0.024926 0.975857 0.164911 B\n0.975074 0.524143 0.664911 B\n0.570490 0.353272 0.909758 B\n0.429510 0.146728 0.409758 B\n0.429510 0.646728 0.090242 B\n0.570490 0.853272 0.590242 B\n0.745523 0.249368 0.906828 B\n0.254477 0.250632 0.406828 B\n0.254477 0.750632 0.093172 B\n0.745523 0.749368 0.593172 B\n0.654681 0.286808 0.954119 B\n0.345319 0.213192 0.454119 B\n0.345319 0.713192 0.045881 B\n0.654681 0.786808 0.545881 B\n0.426759 0.332661 0.952568 B\n0.573241 0.167339 0.452568 B\n0.573241 0.667339 0.047432 B\n0.426759 0.832661 0.547432 B\n0.556005 0.237822 0.872966 B\n0.443995 0.262178 0.372966 B\n0.443995 0.762178 0.127034 B\n0.556005 0.737822 0.627034 B\n0.668426 0.103180 0.889866 B\n0.331574 0.396820 0.389866 B\n0.331574 0.896820 0.110134 B\n0.668426 0.603180 0.610134 B\n0.689594 0.132695 0.943414 B\n0.310406 0.367305 0.443414 B\n0.310406 0.867305 0.056586 B\n0.689594 0.632695 0.556586 B\n0.478513 0.188591 0.973918 B\n0.521487 0.311409 0.473918 B\n0.521487 0.811409 0.026082 B\n0.478513 0.688591 0.526082 B\n0.273023 0.207413 0.946564 B\n0.726977 0.292587 0.446564 B\n0.726977 0.792587 0.053436 B\n0.273023 0.707413 0.553436 B\n0.344564 0.294033 0.903343 B\n0.655436 0.205967 0.403342 B\n0.655436 0.705967 0.096657 B\n0.344564 0.794033 0.596657 B\n0.765611 0.631367 0.950261 H\n0.234389 0.868633 0.450261 H\n0.234389 0.368633 0.049739 H\n0.765611 0.131367 0.549739 H\n0.981279 0.602548 0.972568 H\n0.018721 0.897452 0.472568 H\n0.018721 0.397452 0.027432 H\n0.981279 0.102548 0.527432 H\n0.930928 0.758050 0.959888 H\n0.069072 0.741950 0.459888 H\n0.069072 0.241950 0.040112 H\n0.930928 0.258050 0.540112 H\n0.324070 0.658911 0.886114 H\n0.675930 0.841089 0.386114 H\n0.675930 0.341089 0.113886 H\n0.324070 0.158911 0.613886 H\n0.264002 0.774273 0.921308 H\n0.735998 0.725727 0.421308 H\n0.735998 0.225727 0.078692 H\n0.264002 0.274273 0.578692 H\n0.288197 0.617448 0.937813 H\n0.711803 0.882552 0.437813 H\n0.711803 0.382552 0.062187 H\n0.288197 0.117448 0.562187 H\n0.869747 0.892974 0.694098 H\n0.130253 0.607026 0.194098 H\n0.130253 0.107026 0.305902 H\n0.869747 0.392974 0.805902 H\n0.077924 0.961289 0.673205 H\n0.922076 0.538711 0.173205 H\n0.922076 0.038711 0.326795 H\n0.077924 0.461289 0.826795 H\n0.085072 0.835261 0.708273 H\n0.914928 0.664739 0.208273 H\n0.914928 0.164739 0.291727 H\n0.085072 0.335261 0.791727 H\n0.302834 0.130908 0.764845 H\n0.697166 0.369092 0.264845 H\n0.697166 0.869092 0.235155 H\n0.302834 0.630908 0.735155 H\n0.342598 0.976386 0.749962 H\n0.657402 0.523614 0.249962 H\n0.657402 0.023614 0.250038 H\n0.342598 0.476386 0.750038 H\n0.318000 0.094933 0.712663 H\n0.682000 0.405067 0.212663 H\n0.682000 0.905067 0.287337 H\n0.318000 0.594933 0.787337 H\n0.679991 0.798373 0.906762 H\n0.320009 0.701627 0.406762 H\n0.320009 0.201627 0.093238 H\n0.679991 0.298372 0.593238 H\n0.463943 0.877276 0.835015 H\n0.536057 0.622724 0.335015 H\n0.536057 0.122724 0.164985 H\n0.463943 0.377276 0.664985 H\n0.706800 0.068603 0.789247 H\n0.293200 0.431397 0.289247 H\n0.293200 0.931397 0.210753 H\n0.706800 0.568603 0.710753 H\n0.038775 0.955387 0.910578 H\n0.961225 0.544613 0.410578 H\n0.961225 0.044613 0.089422 H\n0.038775 0.455387 0.589422 H\n0.064136 0.748155 0.840441 H\n0.935864 0.751845 0.340441 H\n0.935864 0.251845 0.159559 H\n0.064136 0.248155 0.659559 H\n0.642901 0.641245 0.833713 H\n0.357099 0.858755 0.333713 H\n0.357099 0.358755 0.166287 H\n0.642901 0.141245 0.666287 H\n0.657914 0.809135 0.760749 H\n0.342086 0.690865 0.260749 H\n0.342086 0.190865 0.239251 H\n0.657914 0.309135 0.739251 H\n0.080237 0.861701 0.791694 H\n0.919763 0.638299 0.291694 H\n0.919763 0.138299 0.208306 H\n0.080237 0.361701 0.708306 H\n0.053854 0.124291 0.837362 H\n0.946146 0.375709 0.337362 H\n0.946146 0.875709 0.162638 H\n0.053854 0.624291 0.662638 H\n0.839368 0.744287 0.801512 H\n0.160632 0.755713 0.301512 H\n0.160632 0.255713 0.198488 H\n0.839368 0.244287 0.698488 H\n0.080480 0.938576 0.849379 H\n0.919520 0.561424 0.349379 H\n0.919520 0.061424 0.150621 H\n0.080480 0.438576 0.650621 H\n0.601934 0.455487 0.897136 H\n0.398066 0.044513 0.397136 H\n0.398066 0.544513 0.102864 H\n0.601934 0.955487 0.602864 H\n0.896459 0.289174 0.898596 H\n0.103541 0.210826 0.398596 H\n0.103541 0.710826 0.101404 H\n0.896459 0.789174 0.601404 H\n0.756681 0.333889 0.978563 H\n0.243319 0.166111 0.478563 H\n0.243319 0.666111 0.021437 H\n0.756681 0.833889 0.521437 H\n0.386628 0.419844 0.971595 H\n0.613372 0.080156 0.471595 H\n0.613372 0.580156 0.028405 H\n0.386628 0.919844 0.528405 H\n0.557028 0.263093 0.838066 H\n0.442972 0.236907 0.338066 H\n0.442972 0.736907 0.161934 H\n0.557028 0.763093 0.661934 H\n0.793475 0.076378 0.962618 H\n0.206525 0.423622 0.462618 H\n0.206525 0.923622 0.037382 H\n0.793475 0.576378 0.537382 H\n0.468362 0.161476 0.008623 H\n0.531638 0.338524 0.508623 H\n0.531638 0.838524 0.991377 H\n0.468362 0.661476 0.491377 H\n0.120351 0.190543 0.958645 H\n0.879649 0.309457 0.458645 H\n0.879649 0.809457 0.041355 H\n0.120351 0.690543 0.541355 H\n0.233492 0.346371 0.884983 H\n0.766508 0.153629 0.384983 H\n0.766508 0.653629 0.115017 H\n0.233492 0.846371 0.615017 H\n0.497691 0.121666 0.874547 H\n0.502309 0.378334 0.374547 H\n0.502309 0.878334 0.125453 H\n0.497691 0.621666 0.625453 H\n0.587492 0.050381 0.923714 H\n0.412508 0.449619 0.423714 H\n0.412508 0.949619 0.076286 H\n0.587492 0.550381 0.576286 H\n0.363081 0.107417 0.955729 H\n0.636919 0.392583 0.455729 H\n0.636919 0.892583 0.044271 H\n0.363081 0.607417 0.544271 H\n0.270785 0.179738 0.907275 H\n0.729215 0.320262 0.407275 H\n0.729215 0.820262 0.092725 H\n0.270785 0.679738 0.592725 H\n0.911341 0.660494 0.951380 C\n0.088659 0.839506 0.451380 C\n0.088659 0.339506 0.048620 C\n0.911341 0.160494 0.548620 C\n0.245751 0.676323 0.913356 C\n0.754249 0.823677 0.413356 C\n0.754249 0.323677 0.086644 C\n0.245751 0.176323 0.586644 C\n0.014524 0.917671 0.699870 C\n0.985476 0.582329 0.199870 C\n0.985476 0.082329 0.300130 C\n0.014524 0.417671 0.800130 C\n0.273112 0.059866 0.742109 C\n0.726888 0.440134 0.242109 C\n0.726888 0.940134 0.257891 C\n0.273112 0.559866 0.757891 C\n0.008344 0.633444 0.902833 S\n0.991656 0.866556 0.402833 S\n0.991656 0.366556 0.097167 S\n0.008344 0.133444 0.597167 S\n0.027680 0.028637 0.740112 S\n0.972320 0.471363 0.240112 S\n0.972320 0.971363 0.259888 S\n0.027680 0.528637 0.759888 S\n",
            "nsites": 248,
            "nelements": 4,
            "elements": [
                "B",
                "H",
                "C",
                "S"
            ],
            "chemical_system": "B-C-H-S",
            "density": 0.9165446043685566,
            "density_atomic": 0.09383954008890427,
            "volume": 2642.8092013776172,
            "volume_molar": 6.417487505048063,
            "formula_full": "B80 H144 C16 S8",
            "formula_reduced": "B10H18C2S",
            "formula_anonymous": "AB2C10D18",
            "energy": -1235.36269628,
            "energy_per_atom": -4.981301194677419,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1231.33869628,
            "band_gap": 2.1031000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0026525,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.738000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1248231",
            "created_at": "2022-09-04T14:39:33.751477Z",
            "structure_string": "Al8 Si16 H8 C48 N8 Cl24\n1.0\n16.480171 0.000000 0.000000\n0.000000 9.105518 0.000000\n0.000000 0.000000 17.609406\nAl Si H C N Cl\n8 16 8 48 8 24\ndirect\n0.850445 0.017482 0.913280 Al\n0.350445 0.482518 0.086720 Al\n0.149555 0.517482 0.586720 Al\n0.649555 0.982518 0.413280 Al\n0.149555 0.982518 0.086720 Al\n0.649555 0.517482 0.913280 Al\n0.850445 0.482518 0.413280 Al\n0.350445 0.017482 0.586720 Al\n0.090845 0.161789 0.815488 Si\n0.590845 0.338211 0.184512 Si\n0.909155 0.661789 0.684512 Si\n0.409155 0.838211 0.315488 Si\n0.909155 0.838211 0.184512 Si\n0.409155 0.661789 0.815488 Si\n0.090845 0.338211 0.315488 Si\n0.590845 0.161789 0.684512 Si\n0.889057 0.379971 0.929394 Si\n0.389057 0.120029 0.070606 Si\n0.110943 0.879971 0.570606 Si\n0.610943 0.620029 0.429394 Si\n0.110943 0.620029 0.070606 Si\n0.610943 0.879971 0.929394 Si\n0.889057 0.120029 0.429394 Si\n0.389057 0.379971 0.570606 Si\n0.921008 0.178066 0.992359 H\n0.421008 0.321934 0.007641 H\n0.078992 0.678066 0.507641 H\n0.578992 0.821934 0.492359 H\n0.078992 0.821934 0.007641 H\n0.578992 0.678066 0.992359 H\n0.921008 0.321934 0.492359 H\n0.421008 0.178066 0.507641 H\n0.159887 -0.000067 0.782657 C\n0.659887 0.500067 0.217343 C\n0.840113 0.499933 0.717343 C\n0.340113 1.000067 0.282657 C\n0.840113 1.000067 0.217343 C\n0.340113 0.499933 0.782657 C\n0.159887 0.500067 0.282657 C\n0.659887 -0.000067 0.717343 C\n0.100907 0.025360 0.728097 C\n0.600907 0.474640 0.271903 C\n0.899093 0.525360 0.771903 C\n0.399093 0.974640 0.228097 C\n0.899093 0.974640 0.271903 C\n0.399093 0.525360 0.728097 C\n0.100907 0.474640 0.228097 C\n0.600907 0.025360 0.771903 C\n0.977507 0.486816 0.966646 C\n0.477507 0.013184 0.033354 C\n0.022493 0.986816 0.533354 C\n0.522493 0.513184 0.466646 C\n0.022493 0.513184 0.033354 C\n0.522493 0.986816 0.966646 C\n0.977507 0.013184 0.466646 C\n0.477507 0.486816 0.533354 C\n0.921289 0.485492 0.842487 C\n0.421289 0.014508 0.157513 C\n0.078711 0.985492 0.657513 C\n0.578711 0.514508 0.342487 C\n0.078711 0.514508 0.157513 C\n0.578711 0.985492 0.842487 C\n0.921289 0.014508 0.342487 C\n0.421289 0.485492 0.657513 C\n0.185654 0.049598 0.848326 C\n0.685654 0.450402 0.151674 C\n0.814346 0.549598 0.651674 C\n0.314346 0.950402 0.348326 C\n0.814346 0.950402 0.151674 C\n0.314346 0.549598 0.848326 C\n0.185654 0.450402 0.348326 C\n0.685654 0.049598 0.651674 C\n0.982904 0.536024 0.893325 C\n0.482904 0.963976 0.106675 C\n0.017096 0.036024 0.606675 C\n0.517096 0.463976 0.393325 C\n0.017096 0.463976 0.106675 C\n0.517096 0.036024 0.893325 C\n0.982904 0.963976 0.393325 C\n0.482904 0.536024 0.606675 C\n0.884986 0.197653 0.945586 N\n0.384986 0.302347 0.054414 N\n0.115014 0.697653 0.554414 N\n0.615014 0.802347 0.445586 N\n0.115014 0.802347 0.054414 N\n0.615014 0.697653 0.945586 N\n0.884986 0.302347 0.445586 N\n0.384986 0.197653 0.554414 N\n0.919295 0.852775 0.969521 Cl\n0.419295 0.647225 0.030479 Cl\n0.080705 0.352775 0.530479 Cl\n0.580705 0.147225 0.469521 Cl\n0.080705 0.147225 0.030479 Cl\n0.580705 0.352775 0.969521 Cl\n0.919295 0.647225 0.469521 Cl\n0.419295 0.852775 0.530479 Cl\n0.838628 0.981461 0.794974 Cl\n0.338628 0.518539 0.205026 Cl\n0.161372 0.481461 0.705026 Cl\n0.661372 0.018539 0.294974 Cl\n0.161372 0.018539 0.205026 Cl\n0.661372 0.481461 0.794974 Cl\n0.838628 0.518539 0.294974 Cl\n0.338628 0.981461 0.705026 Cl\n0.721402 0.997288 0.970738 Cl\n0.221402 0.502712 0.029262 Cl\n0.278598 0.497288 0.529262 Cl\n0.778598 0.002712 0.470738 Cl\n0.278598 0.002712 0.029262 Cl\n0.778598 0.497288 0.970738 Cl\n0.721402 0.502712 0.470738 Cl\n0.221402 0.997288 0.529262 Cl\n",
            "nsites": 112,
            "nelements": 6,
            "elements": [
                "Al",
                "Si",
                "H",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "Al-C-Cl-H-N-Si",
            "density": 1.3904810539137955,
            "density_atomic": 0.0423844883776666,
            "volume": 2642.47615783456,
            "volume_molar": 14.208360158414015,
            "formula_full": "Al8 Si16 H8 C48 N8 Cl24",
            "formula_reduced": "AlSi2HC6NCl3",
            "formula_anonymous": "ABCD2E3F6",
            "energy": -691.19085684,
            "energy_per_atom": -6.171346936071429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -673.56685684,
            "band_gap": 1.0668,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.262000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1224631",
            "created_at": "2022-09-04T14:41:11.309202Z",
            "structure_string": "La40 Se48 N8\n1.0\n6.398727 26.056061 0.000000\n-6.398727 26.056061 0.000000\n0.000000 0.094295 7.923735\nLa Se N\n40 48 8\ndirect\n0.752316 0.356375 0.685898 La\n0.636220 0.254094 0.824503 La\n0.254094 0.636220 0.324503 La\n0.356375 0.752316 0.185898 La\n0.854702 0.696738 0.784223 La\n0.302814 0.145095 0.715948 La\n0.145095 0.302814 0.215948 La\n0.696738 0.854702 0.284223 La\n0.959866 0.450796 0.628633 La\n0.548858 0.039503 0.871718 La\n0.039503 0.548858 0.371718 La\n0.450796 0.959866 0.128633 La\n0.982529 0.867396 0.655168 La\n0.128962 0.018445 0.841371 La\n0.018445 0.128962 0.341371 La\n0.867396 0.982529 0.155168 La\n0.721979 0.567695 0.530260 La\n0.431460 0.278289 0.970235 La\n0.278289 0.431460 0.470235 La\n0.567695 0.721979 0.030260 La\n0.156092 0.433004 0.830204 La\n0.566235 0.843941 0.669401 La\n0.843941 0.566235 0.169401 La\n0.433004 0.156092 0.330204 La\n0.987737 0.700619 0.635412 La\n0.298516 0.012152 0.865585 La\n0.012153 0.298516 0.365585 La\n0.700619 0.987737 0.135412 La\n0.288538 0.546194 0.822186 La\n0.451604 0.713638 0.677673 La\n0.713638 0.451604 0.177673 La\n0.546194 0.288538 0.322186 La\n0.941055 0.327407 0.827899 La\n0.671125 0.059654 0.674267 La\n0.059654 0.671125 0.174267 La\n0.327407 0.941055 0.327899 La\n0.432324 0.568762 0.746516 La\n0.568762 0.432324 0.246516 La\n0.125411 0.853244 0.991979 La\n0.853244 0.125411 0.491979 La\n0.113055 0.262645 0.896572 Se\n0.737633 0.887286 0.603673 Se\n0.887286 0.737633 0.103673 Se\n0.262645 0.113055 0.396572 Se\n0.741659 0.629845 0.824493 Se\n0.370708 0.258418 0.675702 Se\n0.258418 0.370708 0.175702 Se\n0.629845 0.741659 0.324493 Se\n0.900408 0.254489 0.971174 Se\n0.748842 0.100277 0.531889 Se\n0.100277 0.748842 0.031889 Se\n0.254489 0.900408 0.471174 Se\n0.164485 0.347044 0.530229 Se\n0.653180 0.836283 0.969255 Se\n0.836283 0.653180 0.469255 Se\n0.347044 0.164485 0.030229 Se\n0.556071 0.529492 0.979455 Se\n0.466629 0.446153 0.520043 Se\n0.446153 0.466629 0.020043 Se\n0.529492 0.556071 0.479455 Se\n0.679345 0.318533 0.738592 Se\n0.318533 0.679345 0.238592 Se\n0.973253 0.100918 0.642293 Se\n0.902346 0.024941 0.850628 Se\n0.024941 0.902346 0.350628 Se\n0.100918 0.973253 0.142293 Se\n0.213057 0.716001 0.691940 Se\n0.282605 0.786104 0.816287 Se\n0.786104 0.282605 0.316287 Se\n0.716001 0.213057 0.191940 Se\n0.676152 0.536347 0.820353 Se\n0.465109 0.322289 0.679745 Se\n0.322289 0.465109 0.179745 Se\n0.536347 0.676152 0.320353 Se\n0.880406 0.876187 0.882218 Se\n0.123450 0.120786 0.618485 Se\n0.120786 0.123450 0.118485 Se\n0.876187 0.880406 0.382218 Se\n0.000019 0.500380 0.000460 Se\n0.500380 0.000019 0.500460 Se\n0.188991 0.521092 0.842360 Se\n0.479154 0.811241 0.657639 Se\n0.811241 0.479154 0.157639 Se\n0.521092 0.188991 0.342360 Se\n0.148801 0.648950 0.522666 Se\n0.350309 0.851111 0.977664 Se\n0.851111 0.350309 0.477664 Se\n0.648950 0.148801 0.022666 Se\n0.010654 0.589533 0.669188 N\n0.410550 0.989611 0.830314 N\n0.989611 0.410550 0.330314 N\n0.589533 0.010654 0.169188 N\n0.908681 0.411972 0.604454 N\n0.588650 0.090988 0.894849 N\n0.090988 0.588650 0.394849 N\n0.411972 0.908681 0.104454 N\n",
            "nsites": 96,
            "nelements": 3,
            "elements": [
                "La",
                "Se",
                "N"
            ],
            "chemical_system": "La-N-Se",
            "density": 5.944321719264883,
            "density_atomic": 0.036333643524816044,
            "volume": 2642.179277573183,
            "volume_molar": 16.574557836146685,
            "formula_full": "La40 Se48 N8",
            "formula_reduced": "La5Se6N",
            "formula_anonymous": "AB5C6",
            "energy": -647.8901142899999,
            "energy_per_atom": -6.748855357187499,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -622.34611429,
            "band_gap": 1.5880999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0521756,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.149000Z",
            "spacegroup": 9
        }
    ]
}