GET /third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=158
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=159",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=157",
    "results": [
        {
            "id": "mp-559395",
            "created_at": "2022-09-04T14:45:54.102844Z",
            "structure_string": "K4 Lu4 P8 O28\n1.0\n10.836854 0.000000 0.000000\n0.000000 7.635873 0.000000\n0.000000 2.496327 8.248342\nK Lu P O\n4 4 8 28\ndirect\n0.178163 0.819920 0.566491 K\n0.821837 0.180080 0.433509 K\n0.321837 0.819920 0.066491 K\n0.678163 0.180080 0.933509 K\n0.403463 0.232903 0.247904 Lu\n0.596537 0.767097 0.752096 Lu\n0.903463 0.767097 0.252096 Lu\n0.096537 0.232903 0.747904 Lu\n0.398581 0.131023 0.685457 P\n0.898581 0.868977 0.814543 P\n0.101419 0.131023 0.185457 P\n0.601419 0.868977 0.314543 P\n0.357989 0.444924 0.809841 P\n0.642011 0.555076 0.190159 P\n0.142011 0.444924 0.309841 P\n0.857989 0.555076 0.690159 P\n0.095752 0.139358 0.007910 O\n0.887336 0.663412 0.515634 O\n0.500655 0.009991 0.785868 O\n0.926584 0.662760 0.805141 O\n0.416073 0.635732 0.760126 O\n0.999345 0.009991 0.285868 O\n0.499345 0.990009 0.214132 O\n0.279442 0.455872 0.266142 O\n0.904248 0.860642 0.992090 O\n0.000655 0.990009 0.714132 O\n0.387336 0.336588 0.984366 O\n0.083927 0.635732 0.260126 O\n0.779442 0.544128 0.233858 O\n0.404248 0.139358 0.507910 O\n0.229457 0.072992 0.259754 O\n0.270543 0.072992 0.759754 O\n0.583927 0.364268 0.239874 O\n0.612664 0.663412 0.015634 O\n0.112664 0.336588 0.484366 O\n0.426584 0.337240 0.694859 O\n0.916073 0.364268 0.739874 O\n0.595752 0.860642 0.492090 O\n0.573416 0.662760 0.305141 O\n0.720558 0.544128 0.733858 O\n0.073416 0.337240 0.194859 O\n0.729457 0.927008 0.240246 O\n0.770543 0.927008 0.740246 O\n0.220558 0.455872 0.766142 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "K",
                "Lu",
                "P",
                "O"
            ],
            "chemical_system": "K-Lu-O-P",
            "density": 3.775912211530176,
            "density_atomic": 0.06446501644614303,
            "volume": 682.5407395460696,
            "volume_molar": 9.341719109047569,
            "formula_full": "K4 Lu4 P8 O28",
            "formula_reduced": "KLuP2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -343.60451225,
            "energy_per_atom": -7.809193460227274,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -324.36851225,
            "band_gap": 5.5451,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002707,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:09.385000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-6299",
            "created_at": "2022-09-04T14:43:20.502961Z",
            "structure_string": "K8 Mg8 S12 O48\n1.0\n10.072140 0.000000 0.000000\n0.000000 10.072140 0.000000\n0.000000 0.000000 10.072140\nK Mg S O\n8 8 12 48\ndirect\n0.200607 0.299393 0.700607 K\n0.299393 0.700607 0.200607 K\n0.700607 0.200607 0.299393 K\n0.799393 0.799393 0.799393 K\n0.433117 0.066883 0.933117 K\n0.066883 0.933117 0.433117 K\n0.933117 0.433117 0.066883 K\n0.566883 0.566883 0.566883 K\n0.150971 0.650971 0.849029 Mg\n0.085576 0.085576 0.085576 Mg\n0.414424 0.914424 0.585576 Mg\n0.585576 0.414424 0.914424 Mg\n0.914424 0.585576 0.414424 Mg\n0.349029 0.349029 0.349029 Mg\n0.849029 0.150971 0.650971 Mg\n0.650971 0.849029 0.150971 Mg\n0.466241 0.731000 0.873958 S\n0.269000 0.373958 0.033759 S\n0.373958 0.033759 0.269000 S\n0.033759 0.269000 0.373958 S\n0.873958 0.466241 0.731000 S\n0.731000 0.873958 0.466241 S\n0.231000 0.626042 0.533759 S\n0.126042 0.966241 0.769000 S\n0.626042 0.533759 0.231000 S\n0.769000 0.126042 0.966241 S\n0.966241 0.769000 0.126042 S\n0.533759 0.231000 0.626042 S\n0.503752 0.591383 0.848362 O\n0.003752 0.908617 0.151638 O\n0.496248 0.091383 0.651638 O\n0.908617 0.151638 0.003752 O\n0.651638 0.496248 0.091383 O\n0.151638 0.003752 0.908617 O\n0.591383 0.848362 0.503752 O\n0.848362 0.503752 0.591383 O\n0.091383 0.651638 0.496248 O\n0.408617 0.348362 0.996248 O\n0.348362 0.996248 0.408617 O\n0.996248 0.408617 0.348362 O\n0.475278 0.945906 0.207685 O\n0.975278 0.554094 0.792315 O\n0.524722 0.445906 0.292315 O\n0.554094 0.792315 0.975278 O\n0.292315 0.524722 0.445906 O\n0.792315 0.975278 0.554094 O\n0.579244 0.673957 0.239439 O\n0.945906 0.207685 0.475278 O\n0.445906 0.292315 0.524722 O\n0.054094 0.707685 0.024722 O\n0.707685 0.024722 0.054094 O\n0.024722 0.054094 0.707685 O\n0.326043 0.739439 0.920756 O\n0.826043 0.760561 0.079244 O\n0.673957 0.239439 0.579244 O\n0.760561 0.079244 0.826043 O\n0.015681 0.192551 0.248953 O\n0.248953 0.015681 0.192551 O\n0.192551 0.248953 0.015681 O\n0.307449 0.751047 0.515681 O\n0.748953 0.484319 0.807449 O\n0.807449 0.748953 0.484319 O\n0.251047 0.984319 0.692551 O\n0.751047 0.515681 0.307449 O\n0.692551 0.251047 0.984319 O\n0.515681 0.307449 0.751047 O\n0.984319 0.692551 0.251047 O\n0.484319 0.807449 0.748953 O\n0.173957 0.260561 0.420756 O\n0.420756 0.173957 0.260561 O\n0.260561 0.420756 0.173957 O\n0.239439 0.579244 0.673957 O\n0.920756 0.326043 0.739439 O\n0.739439 0.920756 0.326043 O\n0.079244 0.826043 0.760561 O\n0.207685 0.475278 0.945906 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "K",
                "Mg",
                "S",
                "O"
            ],
            "chemical_system": "K-Mg-O-S",
            "density": 2.6976528662701433,
            "density_atomic": 0.0743786567891754,
            "volume": 1021.7985008175161,
            "volume_molar": 8.09659789510534,
            "formula_full": "K8 Mg8 S12 O48",
            "formula_reduced": "K2Mg2(SO4)3",
            "formula_anonymous": "A2B2C3D12",
            "energy": -489.65381131,
            "energy_per_atom": -6.442813306710526,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -456.6778113099999,
            "band_gap": 5.544899999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009846,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:08.772000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-557465",
            "created_at": "2022-09-04T14:43:37.373659Z",
            "structure_string": "Si8 O16\n1.0\n4.747106 0.000000 0.000000\n0.000000 8.168423 0.000000\n0.000000 0.000000 8.600416\nSi O\n8 16\ndirect\n0.144830 0.063037 0.158982 Si\n0.144830 0.436963 0.658982 Si\n0.644830 0.563037 0.841018 Si\n0.355170 0.436963 0.158982 Si\n0.855170 0.563037 0.341018 Si\n0.855170 0.936963 0.841018 Si\n0.644830 0.936963 0.341018 Si\n0.355170 0.063037 0.658982 Si\n0.585964 0.053482 0.799874 O\n0.585964 0.446518 0.299873 O\n0.414036 0.553482 0.700126 O\n0.250000 0.250000 0.639043 O\n0.085964 0.553482 0.200126 O\n0.414036 0.946518 0.200126 O\n0.914036 0.053482 0.299873 O\n0.000000 0.500000 0.500000 O\n0.750000 0.750000 0.360957 O\n0.750000 0.750000 0.860957 O\n0.914036 0.446518 0.799874 O\n0.500000 0.500000 0.000000 O\n0.250000 0.250000 0.139043 O\n0.085964 0.946518 0.700126 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 2.39339005985657,
            "density_atomic": 0.07196554760073111,
            "volume": 333.4929115408576,
            "volume_molar": 8.36808856567197,
            "formula_full": "Si8 O16",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -200.52032812,
            "energy_per_atom": -8.355013671666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -189.52832812,
            "band_gap": 5.544899999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.06e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.053000Z",
            "spacegroup": 56
        },
        {
            "id": "mp-1020014",
            "created_at": "2022-09-04T14:43:08.722669Z",
            "structure_string": "Li12 B44 O72\n1.0\n7.952301 0.000000 0.000000\n0.000000 9.771938 0.000000\n0.000000 3.337072 17.685523\nLi B O\n12 44 72\ndirect\n0.183153 0.507304 0.958098 Li\n0.683153 0.992696 0.041902 Li\n0.816847 0.492696 0.041902 Li\n0.316847 0.007304 0.958098 Li\n0.422342 0.722004 0.753561 Li\n0.922342 0.777996 0.246439 Li\n0.577658 0.277996 0.246439 Li\n0.077658 0.222004 0.753561 Li\n0.059514 0.864474 0.579469 Li\n0.559514 0.635526 0.420531 Li\n0.940486 0.135526 0.420531 Li\n0.440486 0.364474 0.579469 Li\n0.630843 0.750782 0.993176 B\n0.130843 0.749218 0.006824 B\n0.369157 0.249218 0.006824 B\n0.869157 0.250782 0.993176 B\n0.580544 0.597545 0.903847 B\n0.080544 0.902455 0.096153 B\n0.419456 0.402455 0.096153 B\n0.919456 0.097545 0.903847 B\n0.385453 0.991278 0.807056 B\n0.885453 0.508722 0.192944 B\n0.614547 0.008722 0.192944 B\n0.114547 0.491278 0.807056 B\n0.601421 0.009140 0.712983 B\n0.101421 0.490860 0.287017 B\n0.398579 0.990860 0.287017 B\n0.898579 0.509140 0.712983 B\n0.655273 0.845693 0.624659 B\n0.155273 0.654307 0.375341 B\n0.344727 0.154307 0.375341 B\n0.844727 0.345693 0.624659 B\n0.710176 0.749585 0.513936 B\n0.210176 0.750415 0.486064 B\n0.289824 0.250415 0.486064 B\n0.789824 0.249585 0.513936 B\n0.941677 0.034907 0.307941 B\n0.441677 0.465093 0.692059 B\n0.058323 0.965093 0.692059 B\n0.558323 0.534907 0.307941 B\n0.065836 0.072207 0.184069 B\n0.565836 0.427793 0.815931 B\n0.934164 0.927793 0.815931 B\n0.434164 0.572207 0.184069 B\n0.374960 0.781412 0.913517 B\n0.874960 0.718588 0.086483 B\n0.625040 0.218588 0.086483 B\n0.125040 0.281412 0.913517 B\n0.941685 0.813855 0.414219 B\n0.441685 0.686145 0.585781 B\n0.058315 0.186145 0.585781 B\n0.558315 0.313855 0.414219 B\n0.008584 0.277799 0.242836 B\n0.508584 0.222201 0.757164 B\n0.991416 0.722201 0.757164 B\n0.491416 0.777799 0.242836 B\n0.235987 0.703382 0.956975 O\n0.735987 0.796618 0.043025 O\n0.764013 0.296618 0.043025 O\n0.264013 0.203382 0.956975 O\n0.496853 0.832059 0.965978 O\n0.996853 0.667941 0.034022 O\n0.503147 0.167941 0.034022 O\n0.003147 0.332059 0.965978 O\n0.457855 0.686286 0.870685 O\n0.957855 0.813714 0.129315 O\n0.542145 0.313714 0.129315 O\n0.042145 0.186286 0.870685 O\n0.660354 0.622329 0.969938 O\n0.160354 0.877671 0.030062 O\n0.339646 0.377671 0.030062 O\n0.839646 0.122329 0.969938 O\n0.306545 0.908872 0.867335 O\n0.806545 0.591128 0.132665 O\n0.693455 0.091128 0.132665 O\n0.193455 0.408872 0.867335 O\n0.478830 0.926867 0.756811 O\n0.978830 0.573133 0.243189 O\n0.521170 0.073133 0.243189 O\n0.021170 0.426867 0.756811 O\n0.696239 0.952046 0.662220 O\n0.196239 0.547954 0.337780 O\n0.303761 0.047954 0.337780 O\n0.803761 0.452046 0.662220 O\n0.510874 0.770122 0.639462 O\n0.010874 0.729878 0.360538 O\n0.489126 0.229878 0.360538 O\n0.989126 0.270122 0.639462 O\n0.487648 0.519598 0.756105 O\n0.987648 0.980402 0.243895 O\n0.512352 0.480402 0.243895 O\n0.012352 0.019598 0.756105 O\n0.765144 0.829592 0.566068 O\n0.265144 0.670408 0.433932 O\n0.234856 0.170408 0.433932 O\n0.734856 0.329592 0.566068 O\n0.563534 0.674759 0.525428 O\n0.063534 0.825241 0.474572 O\n0.436466 0.325241 0.474572 O\n0.936466 0.174759 0.525428 O\n0.788573 0.743490 0.447591 O\n0.288573 0.756510 0.552409 O\n0.211427 0.256510 0.552409 O\n0.711427 0.243490 0.447591 O\n0.899426 0.955730 0.375613 O\n0.399426 0.544270 0.624387 O\n0.100574 0.044270 0.624387 O\n0.600574 0.455730 0.375613 O\n0.931686 0.175648 0.304526 O\n0.431686 0.324352 0.695474 O\n0.068314 0.824352 0.695474 O\n0.568314 0.675648 0.304526 O\n0.131462 0.359153 0.277824 O\n0.631462 0.140847 0.722176 O\n0.868538 0.640847 0.722176 O\n0.368538 0.859153 0.277824 O\n0.873110 0.368168 0.203577 O\n0.373110 0.131832 0.796423 O\n0.126890 0.631832 0.796423 O\n0.626890 0.868168 0.203577 O\n0.091882 0.207158 0.187101 O\n0.591882 0.292842 0.812899 O\n0.908118 0.792842 0.812899 O\n0.408118 0.707158 0.187101 O\n0.126159 0.020065 0.122200 O\n0.626159 0.479935 0.877800 O\n0.873841 0.979935 0.877800 O\n0.373841 0.520065 0.122200 O\n",
            "nsites": 128,
            "nelements": 3,
            "elements": [
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O",
            "density": 2.0672387128841634,
            "density_atomic": 0.09313620746997865,
            "volume": 1374.3312453565309,
            "volume_molar": 6.465950164377441,
            "formula_full": "Li12 B44 O72",
            "formula_reduced": "Li3B11O18",
            "formula_anonymous": "A3B11C18",
            "energy": -1034.28434203,
            "energy_per_atom": -8.080346422109375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -984.82034203,
            "band_gap": 5.5447,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.004267,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:06.108000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1194655",
            "created_at": "2022-09-04T14:46:12.731949Z",
            "structure_string": "Al4 B8 H72 C16 N4\n1.0\n-4.617502 -6.931202 0.000000\n-4.617502 6.931202 0.000000\n0.992084 0.000000 -16.671160\nAl B H C N\n4 8 72 16 4\ndirect\n0.756061 0.515780 0.295272 Al\n0.484220 0.243939 0.204728 Al\n0.243939 0.484220 0.704728 Al\n0.515780 0.756061 0.795272 Al\n0.728221 0.737955 0.361039 B\n0.262045 0.271779 0.138961 B\n0.271779 0.262045 0.638961 B\n0.737955 0.728221 0.861039 B\n0.034421 0.562456 0.316296 B\n0.437543 0.965579 0.183704 B\n0.965579 0.437544 0.683704 B\n0.562456 0.034421 0.816296 B\n0.779675 0.632146 0.394212 H\n0.367854 0.220325 0.105788 H\n0.220325 0.367854 0.605788 H\n0.632146 0.779675 0.894212 H\n0.851427 0.874033 0.357598 H\n0.125967 0.148573 0.142402 H\n0.148573 0.125967 0.642402 H\n0.874033 0.851427 0.857598 H\n0.674722 0.685952 0.289299 H\n0.314048 0.325278 0.210701 H\n0.325278 0.314048 0.710701 H\n0.685952 0.674722 0.789299 H\n0.601098 0.736571 0.393807 H\n0.263429 0.398902 0.106193 H\n0.398902 0.263429 0.606193 H\n0.736571 0.601098 0.893807 H\n0.982541 0.667378 0.282538 H\n0.332622 0.017459 0.217462 H\n0.017459 0.332622 0.717462 H\n0.667378 0.982541 0.782538 H\n0.906955 0.421551 0.327103 H\n0.578449 0.093045 0.172897 H\n0.093045 0.578449 0.672897 H\n0.421551 0.906955 0.827103 H\n0.123511 0.523139 0.270640 H\n0.476861 0.876489 0.229360 H\n0.876489 0.476861 0.729360 H\n0.523139 0.123511 0.770640 H\n0.094631 0.624612 0.382058 H\n0.375388 0.905369 0.117942 H\n0.905369 0.375388 0.617942 H\n0.624612 0.094631 0.882058 H\n0.477438 0.394744 0.426679 H\n0.605256 0.522562 0.073321 H\n0.522562 0.605256 0.573321 H\n0.394744 0.477438 0.926679 H\n0.389918 0.443761 0.338433 H\n0.556239 0.610082 0.161567 H\n0.610082 0.556239 0.661567 H\n0.443761 0.389918 0.838433 H\n0.264800 0.080414 0.410131 H\n0.919586 0.735200 0.089869 H\n0.735200 0.919586 0.589869 H\n0.080414 0.264800 0.910131 H\n0.178901 0.126990 0.319088 H\n0.873010 0.821099 0.180912 H\n0.821099 0.873010 0.680912 H\n0.126990 0.178901 0.819088 H\n0.163772 0.232188 0.410800 H\n0.767812 0.836228 0.089200 H\n0.836228 0.767812 0.589200 H\n0.232188 0.163772 0.910800 H\n0.704043 0.149145 0.323634 H\n0.850855 0.295957 0.176366 H\n0.295957 0.850855 0.676366 H\n0.149145 0.704043 0.823634 H\n0.494363 0.047095 0.357930 H\n0.952905 0.505637 0.142070 H\n0.505637 0.952905 0.642070 H\n0.047095 0.494363 0.857930 H\n0.581898 0.219514 0.488855 H\n0.780486 0.418102 0.011145 H\n0.418102 0.780486 0.511145 H\n0.219514 0.581898 0.988855 H\n0.728275 0.119757 0.464214 H\n0.880244 0.271725 0.035786 H\n0.271725 0.880243 0.535786 H\n0.119757 0.728275 0.964214 H\n0.789824 0.346430 0.453773 H\n0.653570 0.210176 0.046227 H\n0.210176 0.653570 0.546227 H\n0.346430 0.789824 0.953773 H\n0.418840 0.340064 0.367125 C\n0.659936 0.581160 0.132875 C\n0.581160 0.659936 0.632875 C\n0.340064 0.418840 0.867125 C\n0.248169 0.184922 0.376583 C\n0.815078 0.751831 0.123417 C\n0.751831 0.815078 0.623417 C\n0.184922 0.248169 0.876583 C\n0.606613 0.172225 0.360083 C\n0.827775 0.393387 0.139917 C\n0.393387 0.827775 0.639917 C\n0.172225 0.606613 0.860083 C\n0.679891 0.219449 0.446475 C\n0.780551 0.320109 0.053525 C\n0.320109 0.780551 0.553525 C\n0.219449 0.679891 0.946475 C\n0.553083 0.304378 0.319953 N\n0.695622 0.446917 0.180047 N\n0.446917 0.695622 0.680047 N\n0.304378 0.553083 0.819953 N\n",
            "nsites": 104,
            "nelements": 5,
            "elements": [
                "Al",
                "B",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "Al-B-C-H-N",
            "density": 0.801677807106295,
            "density_atomic": 0.09745898316253246,
            "volume": 1067.1155867341554,
            "volume_molar": 6.1791541062529545,
            "formula_full": "Al4 B8 H72 C16 N4",
            "formula_reduced": "AlB2H18C4N",
            "formula_anonymous": "ABC2D4E18",
            "energy": -512.53297375,
            "energy_per_atom": -4.928201670673077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -511.08897375,
            "band_gap": 5.5447,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2152251,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.024000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1204057",
            "created_at": "2022-09-04T14:41:08.915974Z",
            "structure_string": "Si72 O144\n1.0\n-7.233917 -12.529512 0.000033\n-7.233851 12.529474 -0.000017\n0.000029 0.000051 -25.354052\nSi O\n72 144\ndirect\n0.666673 0.333325 0.062901 Si\n0.333349 0.666675 0.062901 Si\n0.333335 0.666675 0.937099 Si\n0.666660 0.333325 0.937099 Si\n0.468752 0.234374 0.135801 Si\n0.765627 0.531249 0.135801 Si\n0.765635 0.234367 0.135800 Si\n0.234377 0.765626 0.135801 Si\n0.234378 0.468751 0.135801 Si\n0.531268 0.765633 0.135800 Si\n0.531252 0.765628 0.864196 Si\n0.234373 0.468751 0.864199 Si\n0.234367 0.765632 0.864203 Si\n0.765624 0.234372 0.864196 Si\n0.765622 0.531249 0.864199 Si\n0.468735 0.234368 0.864203 Si\n0.390206 0.000000 0.160811 Si\n0.609797 0.609795 0.160811 Si\n0.000002 0.390205 0.160811 Si\n0.609797 1.000000 0.160812 Si\n0.390205 0.390204 0.160811 Si\n0.000001 0.609796 0.160811 Si\n0.609794 1.000000 0.839188 Si\n0.390202 0.390204 0.839189 Si\n-0.000001 0.609796 0.839189 Si\n0.390202 0.000000 0.839189 Si\n0.609795 0.609795 0.839188 Si\n0.000000 0.390205 0.839188 Si\n0.666676 0.333324 0.210763 Si\n0.333351 0.666676 0.210763 Si\n0.333324 0.666675 0.789237 Si\n0.666649 0.333325 0.789237 Si\n0.666674 0.333325 0.339370 Si\n0.333350 0.666675 0.339370 Si\n0.333325 0.666676 0.660629 Si\n0.666650 0.333324 0.660629 Si\n0.390165 0.000000 0.287611 Si\n0.609837 0.609838 0.287612 Si\n-0.000001 0.390162 0.287612 Si\n0.609838 1.000000 0.287611 Si\n0.390164 0.390164 0.287611 Si\n0.000000 0.609836 0.287611 Si\n0.609835 1.000000 0.712388 Si\n0.390163 0.390162 0.712388 Si\n0.000001 0.609838 0.712388 Si\n0.390162 0.000000 0.712389 Si\n0.609836 0.609836 0.712388 Si\n0.000000 0.390164 0.712388 Si\n0.421278 0.210639 0.345838 Si\n0.789362 0.578723 0.345837 Si\n0.789365 0.210635 0.345838 Si\n0.210640 0.789361 0.345838 Si\n0.210639 0.421277 0.345837 Si\n0.578730 0.789365 0.345838 Si\n0.578722 0.789361 0.654162 Si\n0.210638 0.421277 0.654163 Si\n0.210635 0.789365 0.654162 Si\n0.789360 0.210639 0.654162 Si\n0.789361 0.578723 0.654163 Si\n0.421270 0.210635 0.654162 Si\n0.254402 0.127202 0.439980 Si\n0.872799 0.745598 0.439981 Si\n0.872801 0.127201 0.439983 Si\n0.127201 0.872798 0.439980 Si\n0.127202 0.254402 0.439981 Si\n0.745600 0.872799 0.439983 Si\n0.745598 0.872799 0.560020 Si\n0.127200 0.254402 0.560019 Si\n0.127199 0.872799 0.560018 Si\n0.872799 0.127201 0.560020 Si\n0.872798 0.745598 0.560019 Si\n0.254401 0.127201 0.560018 Si\n0.666678 0.333312 -0.000000 O\n0.333366 0.666688 -0.000000 O\n0.543439 0.271714 0.083204 O\n0.728286 0.456561 0.083203 O\n0.728290 0.271711 0.083202 O\n0.271725 0.728286 0.083204 O\n0.271725 0.543439 0.083203 O\n0.456578 0.728289 0.083202 O\n0.456566 0.728289 0.916792 O\n0.271713 0.543439 0.916797 O\n0.271712 0.728286 0.916802 O\n0.728277 0.271711 0.916792 O\n0.728274 0.456561 0.916797 O\n0.543426 0.271714 0.916802 O\n0.393827 0.105245 0.135536 O\n0.711419 0.606168 0.135537 O\n0.894765 0.288579 0.135535 O\n0.288582 0.894755 0.135536 O\n0.105251 0.393832 0.135537 O\n0.606186 0.711421 0.135535 O\n0.606184 0.894761 0.135535 O\n0.288582 0.393826 0.135536 O\n0.105249 0.711418 0.135537 O\n0.711423 0.105239 0.135535 O\n0.894755 0.606174 0.135536 O\n0.393831 0.288582 0.135537 O\n0.606174 0.894755 0.864463 O\n0.288581 0.393833 0.864464 O\n0.105236 0.711420 0.864466 O\n0.711419 0.105245 0.864463 O\n0.894748 0.606167 0.864464 O\n0.393816 0.288580 0.864466 O\n0.393819 0.105241 0.864466 O\n0.711418 0.606174 0.864464 O\n0.894752 0.288582 0.864463 O\n0.288578 0.894759 0.864466 O\n0.105244 0.393826 0.864464 O\n0.606170 0.711418 0.864463 O\n0.543765 0.271876 0.189094 O\n0.728124 0.456236 0.189094 O\n0.728127 0.271873 0.189092 O\n0.271889 0.728124 0.189094 O\n0.271888 0.543764 0.189094 O\n0.456254 0.728127 0.189092 O\n0.456236 0.728124 0.810904 O\n0.271877 0.543765 0.810906 O\n0.271873 0.728126 0.810910 O\n0.728112 0.271876 0.810904 O\n0.728112 0.456235 0.810906 O\n0.543747 0.271874 0.810910 O\n0.666689 0.333311 0.274566 O\n0.333378 0.666689 0.274566 O\n0.333310 0.666689 0.725434 O\n0.666621 0.333311 0.725434 O\n0.376447 0.000000 0.224159 O\n0.623555 0.623555 0.224159 O\n0.000000 0.376445 0.224159 O\n0.623554 1.000000 0.224160 O\n0.376445 0.376445 0.224159 O\n0.000000 0.623555 0.224159 O\n0.623553 1.000000 0.775840 O\n0.376445 0.376445 0.775841 O\n0.000000 0.623555 0.775841 O\n0.376446 0.000000 0.775841 O\n0.623554 0.623554 0.775841 O\n1.000000 0.376446 0.775841 O\n0.499999 0.000000 0.146043 O\n0.499999 0.500000 0.146043 O\n0.999999 0.500000 0.146043 O\n0.500002 1.000000 0.853957 O\n0.500001 0.500000 0.853957 O\n0.000001 0.500000 0.853957 O\n0.499998 0.000000 0.302097 O\n0.499999 0.500000 0.302097 O\n0.999999 0.500000 0.302097 O\n0.500001 1.000000 0.697903 O\n0.500001 0.500000 0.697903 O\n0.000001 0.500000 0.697903 O\n0.393608 0.105367 0.311499 O\n0.711760 0.606390 0.311499 O\n0.894634 0.288239 0.311498 O\n0.288241 0.894633 0.311499 O\n0.105370 0.393610 0.311499 O\n0.606395 0.711761 0.311498 O\n0.606394 0.894633 0.311498 O\n0.288241 0.393607 0.311498 O\n0.105369 0.711758 0.311499 O\n0.711761 0.105367 0.311498 O\n0.894633 0.606393 0.311498 O\n0.393610 0.288242 0.311499 O\n0.606392 0.894633 0.688501 O\n0.288240 0.393610 0.688501 O\n0.105365 0.711760 0.688502 O\n0.711758 0.105367 0.688501 O\n0.894630 0.606390 0.688501 O\n0.393605 0.288240 0.688502 O\n0.393606 0.105367 0.688502 O\n0.711760 0.606393 0.688501 O\n0.894632 0.288242 0.688501 O\n0.288239 0.894633 0.688502 O\n0.105367 0.393607 0.688501 O\n0.606390 0.711758 0.688501 O\n0.546336 0.273164 0.362228 O\n0.726837 0.453665 0.362228 O\n0.726837 0.273163 0.362240 O\n0.273172 0.726836 0.362228 O\n0.273172 0.546335 0.362228 O\n0.453675 0.726837 0.362240 O\n0.453665 0.726837 0.637772 O\n0.273163 0.546335 0.637772 O\n0.273163 0.726837 0.637760 O\n0.726828 0.273163 0.637772 O\n0.726828 0.453665 0.637772 O\n0.546326 0.273163 0.637760 O\n0.354808 0.177405 0.400306 O\n0.822596 0.645192 0.400306 O\n0.822601 0.177399 0.400307 O\n0.177403 0.822595 0.400306 O\n0.177404 0.354808 0.400306 O\n0.645203 0.822601 0.400307 O\n0.645192 0.822595 0.599694 O\n0.177404 0.354808 0.599694 O\n0.177398 0.822601 0.599693 O\n0.822597 0.177405 0.599694 O\n0.822597 0.645192 0.599694 O\n0.354797 0.177399 0.599693 O\n0.181279 1.000000 0.429745 O\n0.818723 0.818721 0.429744 O\n0.000003 0.181279 0.429744 O\n0.818724 0.000000 0.429744 O\n0.181279 0.181278 0.429744 O\n0.000001 0.818722 0.429744 O\n0.818721 0.000000 0.570256 O\n0.181277 0.181279 0.570255 O\n0.999998 0.818721 0.570255 O\n0.181276 1.000000 0.570255 O\n0.818721 0.818721 0.570256 O\n-0.000000 0.181279 0.570256 O\n0.301097 0.150549 0.499999 O\n0.849451 0.698902 0.500000 O\n0.849452 0.150549 0.500001 O\n0.150548 0.849451 0.499999 O\n0.150549 0.301098 0.500000 O\n0.698903 0.849451 0.500001 O\n",
            "nsites": 216,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.5630043592817262,
            "density_atomic": 0.046997130348565126,
            "volume": 4596.025297672131,
            "volume_molar": 12.813847814399294,
            "formula_full": "Si72 O144",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -1805.1828265000004,
            "energy_per_atom": -8.357327900462964,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1706.2548265,
            "band_gap": 5.5444,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007576,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:11.610000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1030985",
            "created_at": "2022-09-04T14:42:14.713276Z",
            "structure_string": "La1 Mg6 B1 O8\n1.0\n9.115800 0.000000 0.000000\n0.000000 4.495578 0.000000\n0.000000 0.000000 4.495578\nLa Mg B O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.280052 0.000000 0.500000 Mg\n0.719948 0.000000 0.500000 Mg\n0.280052 0.500000 0.000000 Mg\n0.719948 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 B\n0.258217 0.000000 0.000000 O\n0.741783 -0.000000 -0.000000 O\n0.252699 0.500000 0.500000 O\n0.747301 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": [
                "La",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-La-Mg-O",
            "density": 3.817502933344561,
            "density_atomic": 0.08684685981148836,
            "volume": 184.23233764271893,
            "volume_molar": 6.934206686426875,
            "formula_full": "La1 Mg6 B1 O8",
            "formula_reduced": "LaMg6BO8",
            "formula_anonymous": "ABC6D8",
            "energy": -99.58432547,
            "energy_per_atom": -6.224020341875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.08832547,
            "band_gap": 5.5440000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.01e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.358000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1202408",
            "created_at": "2022-09-04T14:42:02.875250Z",
            "structure_string": "Mg4 P12 H64 C12 N4 O48\n1.0\n9.297608 0.000000 0.000000\n0.000000 16.394192 0.000000\n-4.299558 0.000000 8.920260\nMg P H C N O\n4 12 64 12 4 48\ndirect\n0.538421 0.710155 0.670123 Mg\n0.461579 0.210155 0.829877 Mg\n0.461579 0.289845 0.329877 Mg\n0.538421 0.789845 0.170123 Mg\n0.939767 0.963015 0.716107 P\n0.060233 0.463015 0.783893 P\n0.060233 0.036985 0.283893 P\n0.939767 0.536985 0.216107 P\n0.539126 0.879524 0.880616 P\n0.460874 0.379524 0.619384 P\n0.460874 0.120476 0.119384 P\n0.539126 0.620476 0.380616 P\n0.170393 0.783684 0.489863 P\n0.829607 0.283684 0.010137 P\n0.829607 0.216316 0.510137 P\n0.170393 0.716316 0.989863 P\n0.921808 0.096568 0.730205 H\n0.078192 0.596568 0.769795 H\n0.078192 0.903432 0.269795 H\n0.921808 0.403432 0.230205 H\n0.762537 0.916821 0.867700 H\n0.237463 0.416821 0.632300 H\n0.237463 0.083179 0.132300 H\n0.762537 0.583179 0.367700 H\n0.017409 0.668471 0.414959 H\n0.982591 0.168471 0.085041 H\n0.982591 0.331529 0.585041 H\n0.017409 0.831529 0.914959 H\n0.852688 0.665875 0.828007 H\n0.147312 0.165875 0.671993 H\n0.147312 0.334125 0.171993 H\n0.852688 0.834125 0.328007 H\n0.683906 0.767581 0.506343 H\n0.316094 0.267581 0.993657 H\n0.316094 0.232419 0.493657 H\n0.683906 0.732419 0.006343 H\n0.217616 0.929550 0.895747 H\n0.782384 0.429550 0.604253 H\n0.782384 0.070450 0.104253 H\n0.217616 0.570450 0.395747 H\n0.203118 0.022970 0.801621 H\n0.796882 0.522970 0.698379 H\n0.796882 0.977030 0.198379 H\n0.203118 0.477030 0.301621 H\n0.249841 0.798114 0.760284 H\n0.750159 0.298114 0.739716 H\n0.750159 0.201886 0.239716 H\n0.249841 0.701886 0.260284 H\n0.047502 0.824855 0.646959 H\n0.952498 0.324855 0.853041 H\n0.952498 0.175145 0.353041 H\n0.047502 0.675145 0.146959 H\n0.153027 0.951340 0.576837 H\n0.846973 0.451340 0.923163 H\n0.846973 0.048660 0.423163 H\n0.153027 0.548660 0.076837 H\n0.405532 0.002228 0.750511 H\n0.594468 0.502228 0.749489 H\n0.594468 0.997772 0.249489 H\n0.405532 0.497772 0.250511 H\n0.407869 0.925099 0.624408 H\n0.592131 0.425099 0.875592 H\n0.592131 0.074901 0.375592 H\n0.407869 0.574901 0.124408 H\n0.396846 0.667716 0.853566 H\n0.603154 0.167716 0.646434 H\n0.603154 0.332284 0.146434 H\n0.396846 0.832284 0.353566 H\n0.318789 0.610328 0.713245 H\n0.681211 0.110328 0.786755 H\n0.681211 0.389672 0.286755 H\n0.318789 0.889672 0.213245 H\n0.774767 0.612041 0.909931 H\n0.225233 0.112041 0.590069 H\n0.225233 0.387959 0.090069 H\n0.774767 0.887959 0.409931 H\n0.762261 0.819340 0.662317 H\n0.237739 0.319340 0.837683 H\n0.237739 0.180660 0.337683 H\n0.762261 0.680660 0.162317 H\n0.159185 0.959967 0.786777 C\n0.840815 0.459967 0.713223 C\n0.840815 0.040033 0.213223 C\n0.159185 0.540033 0.286777 C\n0.387228 0.937079 0.723621 C\n0.612772 0.437079 0.776379 C\n0.612772 0.062921 0.276379 C\n0.387228 0.562921 0.223621 C\n0.169861 0.830790 0.658522 C\n0.830139 0.330790 0.841478 C\n0.830139 0.169210 0.341478 C\n0.169861 0.669210 0.158522 C\n0.212727 0.919853 0.679360 N\n0.787273 0.419853 0.820640 N\n0.787273 0.080147 0.320640 N\n0.212727 0.580147 0.179360 N\n0.867946 0.963700 0.546148 O\n0.132054 0.463700 0.953852 O\n0.132054 0.036300 0.453852 O\n0.867946 0.536300 0.046148 O\n0.887676 0.892244 0.786888 O\n0.112324 0.392244 0.713112 O\n0.112324 0.107756 0.213112 O\n0.887676 0.607756 0.286888 O\n0.906509 0.044902 0.782093 O\n0.093491 0.544902 0.717907 O\n0.093491 0.955098 0.217907 O\n0.906509 0.455098 0.282093 O\n0.560881 0.796342 0.825882 O\n0.439119 0.296342 0.674118 O\n0.439119 0.203658 0.174118 O\n0.560881 0.703658 0.325882 O\n0.691813 0.935072 0.914886 O\n0.308187 0.435072 0.585114 O\n0.308187 0.064928 0.085114 O\n0.691813 0.564928 0.414886 O\n0.500437 0.880641 0.013754 O\n0.499563 0.380641 0.486246 O\n0.499563 0.119359 0.986246 O\n0.500437 0.619359 0.513754 O\n0.340176 0.778457 0.505470 O\n0.659824 0.278457 0.994530 O\n0.659824 0.221543 0.494530 O\n0.340176 0.721543 0.005470 O\n0.105578 0.696142 0.503519 O\n0.894422 0.196142 0.996481 O\n0.894422 0.303858 0.496481 O\n0.105578 0.803858 0.003519 O\n0.052306 0.829686 0.352982 O\n0.947694 0.329686 0.147018 O\n0.947694 0.170314 0.647018 O\n0.052306 0.670314 0.852982 O\n0.414448 0.642197 0.771776 O\n0.585552 0.142197 0.728224 O\n0.585552 0.357803 0.228224 O\n0.414448 0.857803 0.271776 O\n0.749655 0.654667 0.831981 O\n0.250345 0.154667 0.668019 O\n0.250345 0.345333 0.168019 O\n0.749655 0.845333 0.331981 O\n0.690580 0.774009 0.607371 O\n0.309420 0.274009 0.892629 O\n0.309420 0.225991 0.392629 O\n0.690580 0.725991 0.107371 O\n",
            "nsites": 144,
            "nelements": 6,
            "elements": [
                "Mg",
                "P",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-Mg-N-O-P",
            "density": 1.8337796801593567,
            "density_atomic": 0.10590677180795878,
            "volume": 1359.6864255395853,
            "volume_molar": 5.686266002819891,
            "formula_full": "Mg4 P12 H64 C12 N4 O48",
            "formula_reduced": "MgP3H16C3NO12",
            "formula_anonymous": "ABC3D3E12F16",
            "energy": -868.33876489,
            "energy_per_atom": -6.030130311736111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -833.9187648900001,
            "band_gap": 5.544,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1445119,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:36.016000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1205193",
            "created_at": "2022-09-04T14:44:31.251874Z",
            "structure_string": "H28 C8 S4 N4 O8\n1.0\n6.339570 0.000000 0.000000\n-0.173604 6.617682 0.000000\n-2.836090 -1.863219 12.999251\nH C S N O\n28 8 4 4 8\ndirect\n0.857198 0.298543 0.634355 H\n0.142802 0.701457 0.365645 H\n0.675228 0.156865 0.523571 H\n0.324772 0.843135 0.476429 H\n0.667203 0.430608 0.549954 H\n0.332797 0.569392 0.450046 H\n0.699773 0.171375 0.883778 H\n0.300227 0.828625 0.116222 H\n0.819148 0.363041 0.992091 H\n0.180852 0.636959 0.007909 H\n0.530392 0.338510 0.944830 H\n0.469608 0.661490 0.055170 H\n0.189587 0.677672 0.784049 H\n0.810413 0.322328 0.215951 H\n0.351761 0.842178 0.747241 H\n0.648239 0.157822 0.252759 H\n0.079050 0.666171 0.605452 H\n0.920950 0.333829 0.394548 H\n0.878405 0.784327 0.667113 H\n0.121595 0.215673 0.332887 H\n0.064607 0.939085 0.621603 H\n0.935393 0.060915 0.378397 H\n0.270399 0.990533 0.905003 H\n0.729601 0.009467 0.094997 H\n0.145789 0.125411 0.802190 H\n0.854211 0.874589 0.197810 H\n0.987546 0.943712 0.847885 H\n0.012454 0.056288 0.152115 H\n0.696354 0.289396 0.583752 C\n0.303646 0.710604 0.416248 C\n0.687796 0.324434 0.923940 C\n0.312204 0.675566 0.076060 C\n0.043050 0.799804 0.654954 C\n0.956950 0.200196 0.345046 C\n0.146944 0.981125 0.833808 C\n0.853056 0.018875 0.166192 C\n0.496618 0.258036 0.656521 S\n0.503382 0.741964 0.343479 S\n0.711182 0.506305 0.839878 S\n0.288818 0.493695 0.160122 S\n0.515885 0.456948 0.741144 N\n0.484115 0.543052 0.258856 N\n0.196177 0.816035 0.756814 N\n0.803823 0.183965 0.243186 N\n0.287266 0.261170 0.586678 O\n0.712734 0.738830 0.413322 O\n0.540042 0.068099 0.701552 O\n0.459958 0.931901 0.298448 O\n0.671773 0.704742 0.892109 O\n0.328227 0.295258 0.107891 O\n0.926672 0.486652 0.815772 O\n0.073328 0.513348 0.184228 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-S",
            "density": 1.3293482760476334,
            "density_atomic": 0.09534969723758478,
            "volume": 545.3609346071707,
            "volume_molar": 6.315846756172188,
            "formula_full": "H28 C8 S4 N4 O8",
            "formula_reduced": "H7C2SNO2",
            "formula_anonymous": "ABC2D2E7",
            "energy": -286.07360976,
            "energy_per_atom": -5.5014155723076925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -279.13360976,
            "band_gap": 5.5432,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0642784,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.110000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1212827",
            "created_at": "2022-09-04T14:39:39.801260Z",
            "structure_string": "Dy1 Al3 B4 O12\n1.0\n3.638913 -4.680150 0.000000\n3.638913 4.680150 0.000000\n-2.380411 0.000000 5.429469\nDy Al B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Dy\n0.055751 0.944249 0.500000 Al\n0.944249 0.500000 0.055751 Al\n0.500000 0.055751 0.944249 Al\n0.443233 0.556767 0.000000 B\n0.556767 0.000000 0.443233 B\n0.000000 0.443233 0.556767 B\n0.000000 0.000000 0.000000 B\n0.279223 0.528654 0.128380 O\n0.528654 0.128380 0.279223 O\n0.720777 0.871620 0.471346 O\n0.128380 0.279223 0.528654 O\n0.471346 0.720777 0.871620 O\n0.871620 0.471346 0.720777 O\n0.851320 0.148680 0.000000 O\n0.148680 0.000000 0.851320 O\n0.000000 0.851320 0.148680 O\n0.591502 0.408498 0.000000 O\n0.408498 0.000000 0.591502 O\n0.000000 0.591502 0.408498 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Dy",
                "Al",
                "B",
                "O"
            ],
            "chemical_system": "Al-B-Dy-O",
            "density": 4.298103465802257,
            "density_atomic": 0.10814618335575638,
            "volume": 184.9348666721621,
            "volume_molar": 5.568518992657965,
            "formula_full": "Dy1 Al3 B4 O12",
            "formula_reduced": "DyAl3(BO3)4",
            "formula_anonymous": "AB3C4D12",
            "energy": -166.96723264,
            "energy_per_atom": -8.348361632,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -158.72323264,
            "band_gap": 5.543100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.66e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.135000Z",
            "spacegroup": 155
        },
        {
            "id": "mp-10851",
            "created_at": "2022-09-04T14:48:00.709568Z",
            "structure_string": "Si3 O6\n1.0\n2.552688 -4.421385 0.000000\n2.552688 4.421385 0.000000\n0.000000 0.000000 5.591364\nSi O\n3 6\ndirect\n0.000000 0.500000 0.333333 Si\n0.500000 0.500000 0.666667 Si\n0.500000 0.000000 0.000000 Si\n0.583467 0.791733 0.833333 O\n0.791733 0.583467 0.500000 O\n0.791733 0.208267 0.166667 O\n0.416533 0.208267 0.833333 O\n0.208267 0.416533 0.500000 O\n0.208267 0.791733 0.166667 O\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 2.3715240112456746,
            "density_atomic": 0.07130806924459489,
            "volume": 126.21292506362728,
            "volume_molar": 8.445244449605505,
            "formula_full": "Si3 O6",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -75.25406929,
            "energy_per_atom": -8.361563254444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.13206929,
            "band_gap": 5.5428,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002103,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:31.203000Z",
            "spacegroup": 181
        },
        {
            "id": "mp-541566",
            "created_at": "2022-09-04T14:39:21.634497Z",
            "structure_string": "K2 Mg1 B12 H20 O30\n1.0\n7.616530 0.000000 0.000000\n-0.251524 7.872888 0.000000\n-0.870262 -3.510242 10.324638\nK Mg B H O\n2 1 12 20 30\ndirect\n0.736860 0.366615 0.402125 K\n0.263140 0.633385 0.597875 K\n0.000000 0.000000 0.000000 Mg\n0.357554 0.153918 0.443771 B\n0.642446 0.846082 0.556229 B\n0.459499 0.758942 0.044104 B\n0.540501 0.241058 0.955896 B\n0.332555 0.015326 0.205209 B\n0.667445 0.984674 0.794791 B\n0.166792 0.699542 0.115599 B\n0.833208 0.300458 0.884401 B\n0.114949 0.567833 0.292164 B\n0.885051 0.432167 0.707836 B\n0.129876 0.895199 0.353257 B\n0.870124 0.104801 0.646743 B\n0.396472 0.307623 0.632308 H\n0.603528 0.692377 0.367692 H\n0.302486 0.970111 0.870741 H\n0.697514 0.029889 0.129259 H\n0.121147 0.051509 0.598097 H\n0.878853 0.948491 0.401903 H\n0.283947 0.465765 0.859299 H\n0.716053 0.534235 0.140701 H\n0.020718 0.358027 0.039151 H\n0.979282 0.641973 0.960849 H\n0.130579 0.976768 0.782006 H\n0.869421 0.023232 0.217994 H\n0.192978 0.284872 0.761637 H\n0.807022 0.715128 0.238363 H\n0.284912 0.187635 0.103340 H\n0.715088 0.812365 0.896660 H\n0.124938 0.304855 0.263534 H\n0.875062 0.695145 0.736466 H\n0.386989 0.429833 0.056874 H\n0.613011 0.570167 0.943126 H\n0.210048 0.114354 0.141949 O\n0.789952 0.885646 0.858051 O\n0.419353 0.133820 0.325797 O\n0.580647 0.866180 0.674203 O\n0.224561 0.041502 0.458725 O\n0.775439 0.958498 0.541275 O\n0.101242 0.417655 0.331311 O\n0.898758 0.582345 0.668689 O\n0.110857 0.553071 0.162398 O\n0.889143 0.446929 0.837602 O\n0.133665 0.730588 0.387461 O\n0.866335 0.269412 0.612539 O\n0.029404 0.747875 0.033722 O\n0.970596 0.252125 0.966278 O\n0.562647 0.705987 0.453673 O\n0.437353 0.294013 0.546327 O\n0.822600 0.075435 0.149527 O\n0.177400 0.924565 0.850473 O\n0.466648 0.935110 0.118024 O\n0.533352 0.064890 0.881976 O\n0.406415 0.299953 0.034880 O\n0.593585 0.700047 0.965120 O\n0.221586 0.866838 0.229103 O\n0.778414 0.133162 0.770897 O\n0.721819 0.614026 0.230660 O\n0.278181 0.385974 0.769340 O\n0.324356 0.638097 0.043864 O\n0.675644 0.361903 0.956136 O\n0.054584 0.065601 0.675025 O\n0.945416 0.934399 0.324975 O\n",
            "nsites": 65,
            "nelements": 5,
            "elements": [
                "K",
                "Mg",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-K-Mg-O",
            "density": 1.9643378682430457,
            "density_atomic": 0.10498984461294511,
            "volume": 619.1074978692328,
            "volume_molar": 5.735926919599877,
            "formula_full": "K2 Mg1 B12 H20 O30",
            "formula_reduced": "K2MgB12(H2O3)10",
            "formula_anonymous": "AB2C12D20E30",
            "energy": -438.99685287,
            "energy_per_atom": -6.7537977364615385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -418.38685287,
            "band_gap": 5.5415,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0028245,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:23.750000Z",
            "spacegroup": 2
        }
    ]
}