GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=11515
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=band_gap&page=11516",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=11514",
    "results": [
        {
            "id": "mp-558861",
            "created_at": "2022-09-04T14:41:16.010597Z",
            "structure_string": "K4 I4 O8 F8\n1.0\n6.128462 0.000000 0.000000\n0.000000 8.512514 0.000000\n0.000000 0.000000 8.564248\nK I O F\n4 4 8 8\ndirect\n0.532037 0.786786 0.716112 K\n0.467963 0.286786 0.716112 K\n0.467963 0.213214 0.216112 K\n0.532037 0.713214 0.216112 K\n0.063726 0.496329 0.999721 I\n0.936274 0.996329 0.999721 I\n0.063726 0.003671 0.499721 I\n0.936274 0.503671 0.499721 I\n0.841776 0.703227 0.473293 O\n0.158224 0.296773 0.973293 O\n0.850192 0.465753 0.697708 O\n0.158224 0.203227 0.473293 O\n0.841776 0.796773 0.973293 O\n0.149808 0.534247 0.197708 O\n0.850192 0.034247 0.197708 O\n0.149808 0.965753 0.697708 O\n0.638526 0.078066 0.920058 F\n0.361474 0.921934 0.420058 F\n0.638526 0.421934 0.420058 F\n0.763961 0.073576 0.574809 F\n0.236039 0.573576 0.574809 F\n0.763961 0.426424 0.074809 F\n0.361474 0.578066 0.920058 F\n0.236039 0.926424 0.074809 F\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "K",
                "I",
                "O",
                "F"
            ],
            "chemical_system": "F-I-K-O",
            "density": 3.5084842581808906,
            "density_atomic": 0.05371711378683305,
            "volume": 446.7849872805861,
            "volume_molar": 11.210842011910412,
            "formula_full": "K4 I4 O8 F8",
            "formula_reduced": "KI(OF)2",
            "formula_anonymous": "ABC2D2",
            "energy": -110.17028644,
            "energy_per_atom": -4.590428601666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.97828644,
            "band_gap": 4.16,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002288,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:15.730000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1033923",
            "created_at": "2022-09-04T14:40:55.751642Z",
            "structure_string": "Mg6 Al1 Ni1 O8\n1.0\n8.790676 0.000000 0.000000\n-0.000000 4.177226 0.000000\n-0.000000 0.000000 4.177226\nMg Al Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244571 0.000000 0.500000 Mg\n0.755429 0.000000 0.500000 Mg\n0.244571 0.500000 0.000000 Mg\n0.755429 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Al\n0.000000 0.500000 0.500000 Ni\n0.220031 0.000000 0.000000 O\n0.779969 -0.000000 -0.000000 O\n0.270950 0.500000 0.500000 O\n0.729050 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": [
                "Mg",
                "Al",
                "Ni",
                "O"
            ],
            "chemical_system": "Al-Mg-Ni-O",
            "density": 3.891794869326735,
            "density_atomic": 0.10430899575839311,
            "volume": 153.39041358484727,
            "volume_molar": 5.773366636516041,
            "formula_full": "Mg6 Al1 Ni1 O8",
            "formula_reduced": "Mg6AlNiO8",
            "formula_anonymous": "ABC6D8",
            "energy": -102.03925298,
            "energy_per_atom": -6.37745331125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.00225298,
            "band_gap": 4.160099999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.0000018,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.520000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-759251",
            "created_at": "2022-09-04T14:41:33.622763Z",
            "structure_string": "Li4 Sb4 P16 O48\n1.0\n13.422748 0.000000 0.000000\n0.000000 7.464457 0.000000\n0.000000 6.873752 9.881217\nLi Sb P O\n4 4 16 48\ndirect\n0.216189 0.842355 0.043477 Li\n0.716189 0.157645 0.456523 Li\n0.283811 0.842355 0.543477 Li\n0.783811 0.157645 0.956523 Li\n0.787038 0.477809 0.071580 Sb\n0.287038 0.522191 0.428420 Sb\n0.712962 0.477809 0.571580 Sb\n0.212962 0.522191 0.928420 Sb\n0.375906 0.419219 0.204262 P\n0.590829 0.506481 0.201272 P\n0.125243 0.154651 0.243061 P\n0.912963 0.048128 0.225731 P\n0.412963 0.951872 0.274269 P\n0.625243 0.845349 0.256939 P\n0.090829 0.493519 0.298728 P\n0.875906 0.580781 0.295738 P\n0.124094 0.419219 0.704262 P\n0.909171 0.506481 0.701272 P\n0.374757 0.154651 0.743061 P\n0.587037 0.048128 0.725731 P\n0.087037 0.951872 0.774269 P\n0.874757 0.845349 0.756939 P\n0.409171 0.493519 0.798728 P\n0.624094 0.580781 0.795738 P\n0.655929 0.640751 0.074307 O\n0.903262 0.187009 0.073592 O\n0.158139 0.236573 0.098700 O\n0.295153 0.555738 0.103645 O\n0.480590 0.538073 0.139911 O\n0.698205 0.963369 0.145982 O\n0.865229 0.628458 0.155459 O\n0.387179 0.203049 0.211782 O\n0.355001 0.876944 0.201263 O\n0.528531 0.990451 0.225518 O\n0.080059 0.370864 0.225294 O\n0.122048 0.723610 0.199744 O\n0.622048 0.276390 0.300256 O\n0.580059 0.629136 0.274706 O\n0.028531 0.009549 0.274482 O\n0.855001 0.123056 0.298737 O\n0.887179 0.796951 0.288218 O\n0.365229 0.371542 0.344541 O\n0.198205 0.036631 0.354018 O\n0.980590 0.461927 0.360089 O\n0.795153 0.444262 0.396355 O\n0.658139 0.763427 0.401300 O\n0.403262 0.812991 0.426408 O\n0.155929 0.359249 0.425693 O\n0.844071 0.640751 0.574307 O\n0.596738 0.187009 0.573592 O\n0.341861 0.236573 0.598700 O\n0.204847 0.555738 0.603645 O\n0.019410 0.538073 0.639911 O\n0.801795 0.963369 0.645982 O\n0.634771 0.628458 0.655459 O\n0.112821 0.203049 0.711782 O\n0.144999 0.876944 0.701263 O\n0.971469 0.990451 0.725518 O\n0.419941 0.370864 0.725294 O\n0.377952 0.723610 0.699744 O\n0.877952 0.276390 0.800256 O\n0.919941 0.629136 0.774706 O\n0.471469 0.009549 0.774482 O\n0.644999 0.123056 0.798737 O\n0.612821 0.796951 0.788218 O\n0.134771 0.371542 0.844541 O\n0.301795 0.036631 0.854018 O\n0.519410 0.461927 0.860089 O\n0.704847 0.444262 0.896355 O\n0.841861 0.763427 0.901300 O\n0.096738 0.812991 0.926408 O\n0.344071 0.359249 0.925693 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "Sb",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-Sb",
            "density": 2.982754841363665,
            "density_atomic": 0.07272477766749492,
            "volume": 990.0339651664707,
            "volume_molar": 8.280727632518643,
            "formula_full": "Li4 Sb4 P16 O48",
            "formula_reduced": "LiSb(PO3)4",
            "formula_anonymous": "ABC4D12",
            "energy": -526.3065397099999,
            "energy_per_atom": -7.309813051527777,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -493.33053971,
            "band_gap": 4.1602,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:26.293000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1228564",
            "created_at": "2022-09-04T14:45:09.435395Z",
            "structure_string": "Ba4 Si6 Ge2 O20\n1.0\n4.741067 -0.000663 0.000000\n-0.001710 7.873975 0.000000\n0.000000 0.000000 13.854946\nBa Si Ge O\n4 6 2 20\ndirect\n0.214877 0.250610 0.544769 Ba\n0.285123 0.249390 0.044769 Ba\n0.779608 0.755273 0.457232 Ba\n0.720392 0.744727 0.957232 Ba\n0.853742 0.550269 0.180330 Si\n0.646258 0.949731 0.680330 Si\n0.854729 0.953742 0.183170 Si\n0.645271 0.546258 0.683170 Si\n0.144983 0.458574 0.816530 Si\n0.355017 0.041426 0.316530 Si\n0.149537 0.043701 0.817387 Ge\n0.350463 0.456299 0.317387 Ge\n0.345285 0.046768 0.707760 O\n0.154715 0.453232 0.207760 O\n0.675460 0.553232 0.283169 O\n0.824540 0.946768 0.783169 O\n0.652749 0.950668 0.280736 O\n0.847251 0.549332 0.780736 O\n0.346598 0.456145 0.718950 O\n0.153402 0.043855 0.218950 O\n0.267639 0.953085 0.921762 O\n0.232361 0.546915 0.421762 O\n0.727695 0.462403 0.086240 O\n0.772305 0.037597 0.586240 O\n0.740119 0.044696 0.088434 O\n0.759881 0.455304 0.588434 O\n0.261593 0.548768 0.911485 O\n0.238407 0.951232 0.411485 O\n0.067496 0.259297 0.844520 O\n0.432504 0.240703 0.344520 O\n0.925095 0.752207 0.157526 O\n0.574905 0.747793 0.657526 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Ba",
                "Si",
                "Ge",
                "O"
            ],
            "chemical_system": "Ba-Ge-O-Si",
            "density": 3.7983201316752155,
            "density_atomic": 0.06186927541010262,
            "volume": 517.2195696149163,
            "volume_molar": 9.733653287648892,
            "formula_full": "Ba4 Si6 Ge2 O20",
            "formula_reduced": "Ba2Si3GeO10",
            "formula_anonymous": "AB2C3D10",
            "energy": -248.79525387,
            "energy_per_atom": -7.7748516834375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -235.05525387,
            "band_gap": 4.1604,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0034939,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:57.812000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-23922",
            "created_at": "2022-09-04T14:45:23.685739Z",
            "structure_string": "H16 N16\n1.0\n3.828212 0.000000 0.000000\n0.000000 8.657928 0.000000\n0.000000 0.000000 9.003347\nH N\n16 16\ndirect\n0.391754 0.206202 0.664924 H\n0.391754 0.293798 0.835076 H\n0.608246 0.706202 0.835076 H\n0.608246 0.793798 0.664924 H\n0.608246 0.793798 0.335076 H\n0.608246 0.706202 0.164924 H\n0.391754 0.293798 0.164924 H\n0.391754 0.206202 0.335076 H\n0.706583 0.338387 0.708478 H\n0.706583 0.161613 0.791522 H\n0.293417 0.838387 0.791522 H\n0.293417 0.661613 0.708478 H\n0.293417 0.661613 0.291522 H\n0.293417 0.838387 0.208478 H\n0.706583 0.161613 0.208478 H\n0.706583 0.338387 0.291522 H\n0.548579 0.250000 0.750000 N\n0.451421 0.750000 0.750000 N\n0.451421 0.750000 0.250000 N\n0.548579 0.250000 0.250000 N\n0.875194 0.874560 0.500000 N\n0.875194 0.625440 0.000000 N\n0.124806 0.374560 0.000000 N\n0.124806 0.125440 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.631823 N\n0.000000 0.000000 0.868177 N\n0.000000 0.500000 0.368177 N\n0.000000 0.000000 0.131823 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "H",
                "N"
            ],
            "chemical_system": "H-N",
            "density": 1.336811167816317,
            "density_atomic": 0.10723487243000049,
            "volume": 298.41038903541926,
            "volume_molar": 5.615841771930174,
            "formula_full": "H16 N16",
            "formula_reduced": "HN",
            "formula_anonymous": "AB",
            "energy": -195.36832097,
            "energy_per_atom": -6.1052600303125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -189.59232097,
            "band_gap": 4.1606,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001982,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:07.419000Z",
            "spacegroup": 53
        },
        {
            "id": "mp-1200751",
            "created_at": "2022-09-04T14:42:49.146546Z",
            "structure_string": "Mn6 B6 P6 H12 O36\n1.0\n3.848593 -6.665959 0.000000\n3.848593 6.665959 0.000000\n0.000000 0.000000 12.967682\nMn B P H O\n6 6 6 12 36\ndirect\n0.877291 0.000000 0.666667 Mn\n0.000000 0.877291 0.333333 Mn\n0.122709 0.122709 0.000000 Mn\n0.254345 0.254345 0.500000 Mn\n0.745655 0.000000 0.166667 Mn\n0.000000 0.745655 0.833333 Mn\n0.312761 0.555126 0.872525 B\n0.444874 0.757635 0.539191 B\n0.242365 0.687239 0.205858 B\n0.555126 0.312761 0.127475 B\n0.757635 0.444874 0.460809 B\n0.687239 0.242365 0.794142 B\n0.330056 0.249530 0.765219 P\n0.750470 0.080526 0.431885 P\n0.919474 0.669944 0.098552 P\n0.249530 0.330056 0.234781 P\n0.080526 0.750470 0.568115 P\n0.669944 0.919474 0.901448 P\n0.594641 0.313075 0.594266 H\n0.686925 0.281567 0.260933 H\n0.718433 0.405359 0.927599 H\n0.313075 0.594641 0.405734 H\n0.281567 0.686925 0.739067 H\n0.405359 0.718433 0.072401 H\n0.581376 0.628537 0.618747 H\n0.371463 0.952838 0.285414 H\n0.047162 0.418624 0.952080 H\n0.628537 0.581376 0.381253 H\n0.952838 0.371463 0.714586 H\n0.418624 0.047162 0.047920 H\n0.580918 0.369057 0.528212 O\n0.630943 0.211860 0.194879 O\n0.788140 0.419082 0.861546 O\n0.369057 0.580918 0.471788 O\n0.211860 0.630943 0.805121 O\n0.419082 0.788140 0.138454 O\n0.587191 0.757419 0.613830 O\n0.242581 0.829772 0.280496 O\n0.170228 0.412809 0.947163 O\n0.757419 0.587191 0.386170 O\n0.829772 0.242581 0.719504 O\n0.412809 0.170228 0.052837 O\n0.208621 0.226857 0.666481 O\n0.773143 0.981764 0.333147 O\n0.018236 0.791379 0.999814 O\n0.226857 0.208621 0.333519 O\n0.981764 0.773143 0.666853 O\n0.791379 0.018236 0.000186 O\n0.409191 0.461895 0.813284 O\n0.538105 0.947297 0.479951 O\n0.052703 0.590809 0.146617 O\n0.461895 0.409191 0.186716 O\n0.947297 0.538105 0.520049 O\n0.590809 0.052703 0.853383 O\n0.522616 0.244431 0.730885 O\n0.755569 0.278185 0.397551 O\n0.721815 0.477384 0.064218 O\n0.244431 0.522616 0.269115 O\n0.278185 0.755569 0.602449 O\n0.477384 0.721815 0.935782 O\n0.207794 0.083812 0.843717 O\n0.916188 0.123982 0.510384 O\n0.876018 0.792206 0.177051 O\n0.083812 0.207794 0.156283 O\n0.123982 0.916188 0.489616 O\n0.792206 0.876018 0.822949 O\n",
            "nsites": 66,
            "nelements": 5,
            "elements": [
                "Mn",
                "B",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "B-H-Mn-O-P",
            "density": 2.9160004413903797,
            "density_atomic": 0.09919435644577963,
            "volume": 665.3604334443773,
            "volume_molar": 6.071051797479776,
            "formula_full": "Mn6 B6 P6 H12 O36",
            "formula_reduced": "MnBP(HO3)2",
            "formula_anonymous": "ABCD2E6",
            "energy": -497.42344522,
            "energy_per_atom": -7.536718866969697,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -462.68344522,
            "band_gap": 4.1606000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:52.152000Z",
            "spacegroup": 154
        },
        {
            "id": "mp-560936",
            "created_at": "2022-09-04T14:42:27.133199Z",
            "structure_string": "Rb2 Na1 Cr1 F6\n1.0\n0.000000 4.295947 4.295947\n4.295947 0.000000 4.295947\n4.295947 4.295947 0.000000\nRb Na Cr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.771830 0.228170 0.771830 F\n0.228170 0.228170 0.771830 F\n0.771830 0.771830 0.228170 F\n0.771830 0.228170 0.228170 F\n0.228170 0.771830 0.228170 F\n0.228170 0.771830 0.771830 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Na",
                "Cr",
                "F"
            ],
            "chemical_system": "Cr-F-Na-Rb",
            "density": 3.769107722481993,
            "density_atomic": 0.06306570574285118,
            "volume": 158.56478385851648,
            "volume_molar": 9.548994479749622,
            "formula_full": "Rb2 Na1 Cr1 F6",
            "formula_reduced": "Rb2NaCrF6",
            "formula_anonymous": "ABC2D6",
            "energy": -55.60260732,
            "energy_per_atom": -5.560260732,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -50.83160732,
            "band_gap": 4.1608,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.0002627,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:47.513000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-557012",
            "created_at": "2022-09-04T14:48:23.991907Z",
            "structure_string": "Li6 Sc2 B4 O12\n1.0\n6.000374 0.000000 0.000000\n0.000000 4.823287 0.000000\n0.000000 4.727318 8.244688\nLi Sc B O\n6 2 4 12\ndirect\n0.250367 0.687240 0.797221 Li\n0.249633 0.687240 0.297221 Li\n0.750367 0.312760 0.702779 Li\n0.749633 0.312760 0.202779 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.804981 0.610370 0.374709 B\n0.304981 0.389630 0.125291 B\n0.195019 0.389630 0.625291 B\n0.695019 0.610370 0.874709 B\n0.586477 0.633319 0.739889 O\n0.913523 0.633319 0.239889 O\n0.253291 0.691508 0.499006 O\n0.753291 0.308492 0.000994 O\n0.237701 0.124122 0.609965 O\n0.413523 0.366681 0.260111 O\n0.746709 0.308492 0.500994 O\n0.246709 0.691508 0.999006 O\n0.086477 0.366681 0.760111 O\n0.262299 0.124122 0.109965 O\n0.737701 0.875878 0.890035 O\n0.762299 0.875878 0.390035 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Sc",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O-Sc",
            "density": 2.552562640781395,
            "density_atomic": 0.10058091708660424,
            "volume": 238.61385136640808,
            "volume_molar": 5.9873591675592825,
            "formula_full": "Li6 Sc2 B4 O12",
            "formula_reduced": "Li3Sc(BO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -181.01308936,
            "energy_per_atom": -7.542212056666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.76908936,
            "band_gap": 4.1608,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010169,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:26.980000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-743",
            "created_at": "2022-09-04T14:40:24.410472Z",
            "structure_string": "Rb2 N6\n1.0\n-3.231743 3.231743 3.847584\n3.231743 -3.231743 3.847584\n3.231743 3.231743 -3.847584\nRb N\n2 6\ndirect\n0.750000 0.750000 0.000000 Rb\n0.250000 0.250000 0.000000 Rb\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.130237 0.630237 0.760474 N\n0.869763 0.369763 0.239526 N\n0.630237 0.869763 0.500000 N\n0.369763 0.130237 0.500000 N\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Rb",
                "N"
            ],
            "chemical_system": "N-Rb",
            "density": 2.63406401653641,
            "density_atomic": 0.04977007005030294,
            "volume": 160.73917500848094,
            "volume_molar": 12.099924219341831,
            "formula_full": "Rb2 N6",
            "formula_reduced": "RbN3",
            "formula_anonymous": "AB3",
            "energy": -55.27836909,
            "energy_per_atom": -6.90979613625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.11236909,
            "band_gap": 4.1608,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.03e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.188000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-560535",
            "created_at": "2022-09-04T14:41:12.774153Z",
            "structure_string": "K8 Sr2 Si6 O18\n1.0\n4.027328 -6.028932 0.000000\n4.027328 6.028932 0.000000\n0.000000 0.000000 11.136749\nK Sr Si O\n8 2 6 18\ndirect\n0.342176 0.764202 0.750000 K\n0.944759 0.055241 0.000000 K\n0.500121 0.499879 0.000000 K\n0.235798 0.657824 0.250000 K\n0.220101 0.227648 0.750000 K\n0.500121 0.499879 0.500000 K\n0.772352 0.779899 0.250000 K\n0.944759 0.055241 0.500000 K\n0.725791 0.254226 0.750000 Sr\n0.745774 0.274209 0.250000 Sr\n0.408534 0.980775 0.030908 Si\n0.019225 0.591466 0.969092 Si\n0.019225 0.591466 0.530908 Si\n0.261002 0.188611 0.250000 Si\n0.811389 0.738998 0.750000 Si\n0.408534 0.980775 0.469092 Si\n0.945828 0.728938 0.871271 O\n0.027013 0.400447 0.602065 O\n0.886183 0.552288 0.090225 O\n0.271062 0.054172 0.128729 O\n0.271062 0.054172 0.371271 O\n0.258856 0.741144 0.000000 O\n0.447712 0.113817 0.590225 O\n0.447712 0.113817 0.909775 O\n0.600149 0.548011 0.750000 O\n0.258856 0.741144 0.500000 O\n0.599553 0.972987 0.102065 O\n0.043578 0.200585 0.250000 O\n0.799415 0.956422 0.750000 O\n0.451989 0.399851 0.250000 O\n0.886183 0.552288 0.409775 O\n0.027013 0.400447 0.897935 O\n0.599553 0.972987 0.397935 O\n0.945828 0.728938 0.628729 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "K",
                "Sr",
                "Si",
                "O"
            ],
            "chemical_system": "K-O-Si-Sr",
            "density": 2.9001362104360306,
            "density_atomic": 0.06286850060521684,
            "volume": 540.8113709201245,
            "volume_molar": 9.578947647910473,
            "formula_full": "K8 Sr2 Si6 O18",
            "formula_reduced": "K4Sr(SiO3)3",
            "formula_anonymous": "AB3C4D9",
            "energy": -232.79652785,
            "energy_per_atom": -6.846956701470588,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -220.43052785,
            "band_gap": 4.1609,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006867,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:18.474000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-977298",
            "created_at": "2022-09-04T14:42:49.375836Z",
            "structure_string": "Li4 Be4 H12\n1.0\n4.003861 4.349390 0.000000\n-4.003861 4.349390 0.000000\n0.000000 1.540926 4.432048\nLi Be H\n4 4 12\ndirect\n0.099335 0.900665 0.250000 Li\n0.290955 0.709045 0.750000 Li\n0.709045 0.290955 0.250000 Li\n0.900665 0.099335 0.750000 Li\n0.627132 0.801795 0.260807 Be\n0.801795 0.627132 0.760807 Be\n0.198205 0.372868 0.239193 Be\n0.372868 0.198205 0.739193 Be\n0.791852 0.979958 0.160732 H\n0.394355 0.883670 0.341597 H\n0.979958 0.791852 0.660732 H\n0.631886 0.656084 0.041321 H\n0.656084 0.631886 0.541321 H\n0.116330 0.605645 0.158403 H\n0.883670 0.394355 0.841597 H\n0.343916 0.368114 0.458679 H\n0.368114 0.343916 0.958679 H\n0.020042 0.208148 0.339268 H\n0.605645 0.116330 0.658403 H\n0.208148 0.020042 0.839268 H\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Li",
                "Be",
                "H"
            ],
            "chemical_system": "Be-H-Li",
            "density": 0.8165727778904707,
            "density_atomic": 0.12956514972544184,
            "volume": 154.36249672370604,
            "volume_molar": 4.647963416675983,
            "formula_full": "Li4 Be4 H12",
            "formula_reduced": "LiBeH3",
            "formula_anonymous": "ABC3",
            "energy": -69.57825335999999,
            "energy_per_atom": -3.4789126679999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.43025336,
            "band_gap": 4.1609,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001522,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:52.681000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-9755",
            "created_at": "2022-09-04T14:40:26.339562Z",
            "structure_string": "Hf2 Ge2 O8\n1.0\n-2.444267 2.444267 5.298189\n2.444267 -2.444267 5.298189\n2.444267 2.444267 -5.298189\nHf Ge O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.342707 0.937491 0.944086 O\n0.687491 0.243405 0.094784 O\n0.148621 0.592707 0.905216 O\n0.993405 0.398621 0.055914 O\n0.756595 0.851379 0.444086 O\n0.601379 0.657293 0.594784 O\n0.062509 0.006595 0.405216 O\n0.407293 0.312509 0.555914 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Hf",
                "Ge",
                "O"
            ],
            "chemical_system": "Ge-Hf-O",
            "density": 8.265722259440754,
            "density_atomic": 0.0947755949271713,
            "volume": 126.61487389471094,
            "volume_molar": 6.354104940863323,
            "formula_full": "Hf2 Ge2 O8",
            "formula_reduced": "HfGeO4",
            "formula_anonymous": "ABC4",
            "energy": -105.43872223,
            "energy_per_atom": -8.786560185833332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.94272223000002,
            "band_gap": 4.161099999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000691,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.526000Z",
            "spacegroup": 88
        }
    ]
}