GET /third-parties/MatprojStructure/?format=api&ordering=band_gap&page=12102
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=12103",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=12101",
    "results": [
        {
            "id": "mp-18555",
            "created_at": "2022-09-04T14:39:09.282379Z",
            "structure_string": "K4 Er4 S8 O32\n1.0\n13.501145 0.000000 0.000000\n0.000000 5.496255 0.000000\n0.000000 4.980905 8.878416\nK Er S O\n4 4 8 32\ndirect\n0.088308 0.590253 0.656119 K\n0.588308 0.409747 0.843881 K\n0.911692 0.409747 0.343881 K\n0.411692 0.590253 0.156119 K\n0.348558 0.090297 0.686895 Er\n0.848558 0.909703 0.813105 Er\n0.651442 0.909703 0.313105 Er\n0.151442 0.090297 0.186895 Er\n0.116690 0.823247 0.920067 S\n0.616690 0.176753 0.579933 S\n0.883310 0.176753 0.079933 S\n0.383310 0.823247 0.420067 S\n0.337400 0.360190 0.886954 S\n0.837400 0.639810 0.613046 S\n0.662600 0.639810 0.113046 S\n0.162600 0.360190 0.386954 S\n0.033345 0.936112 0.811166 O\n0.533345 0.063888 0.688834 O\n0.966655 0.063888 0.188834 O\n0.466655 0.936112 0.311166 O\n0.378648 0.968700 0.510230 O\n0.878648 0.031300 0.989770 O\n0.621352 0.031300 0.489770 O\n0.121352 0.968700 0.010230 O\n0.101284 0.519998 0.021595 O\n0.601284 0.480002 0.478405 O\n0.898716 0.480002 0.978405 O\n0.398716 0.519998 0.521595 O\n0.211255 0.863711 0.837327 O\n0.711255 0.136289 0.662673 O\n0.788745 0.136289 0.162673 O\n0.288745 0.863711 0.337327 O\n0.233165 0.415759 0.264075 O\n0.733165 0.584241 0.235925 O\n0.766835 0.584241 0.735925 O\n0.266835 0.415759 0.764075 O\n0.290633 0.257944 0.035823 O\n0.790633 0.742056 0.464177 O\n0.709367 0.742056 0.964177 O\n0.209367 0.257944 0.535823 O\n0.103359 0.615302 0.351826 O\n0.603359 0.384698 0.148174 O\n0.896641 0.384698 0.648174 O\n0.396641 0.615302 0.851826 O\n0.093625 0.139246 0.392511 O\n0.593625 0.860754 0.107489 O\n0.906375 0.860754 0.607489 O\n0.406375 0.139246 0.892511 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "K",
                "Er",
                "S",
                "O"
            ],
            "chemical_system": "Er-K-O-S",
            "density": 4.017402789903362,
            "density_atomic": 0.07285649462280165,
            "volume": 658.8293912369702,
            "volume_molar": 8.26575693927947,
            "formula_full": "K4 Er4 S8 O32",
            "formula_reduced": "KEr(SO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -336.80971707,
            "energy_per_atom": -7.016869105624999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.82571707,
            "band_gap": 5.8689,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0034607,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.354000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1200927",
            "created_at": "2022-09-04T14:42:15.265905Z",
            "structure_string": "Be4 H24 N8 F8\n1.0\n5.009170 0.000000 -0.206736\n0.000000 7.147968 0.000000\n-0.073029 0.000000 10.411323\nBe H N F\n4 24 8 8\ndirect\n0.364401 0.363245 0.315401 Be\n0.635599 0.863245 0.184599 Be\n0.635599 0.636755 0.684599 Be\n0.364401 0.136755 0.815401 Be\n0.259275 0.163185 0.487707 H\n0.740725 0.663185 0.012293 H\n0.740725 0.836815 0.512293 H\n0.259275 0.336815 0.987707 H\n0.022692 0.159740 0.371930 H\n0.977308 0.659740 0.128070 H\n0.977308 0.840260 0.628070 H\n0.022692 0.340260 0.871930 H\n0.308155 0.048898 0.352518 H\n0.691845 0.548898 0.147482 H\n0.691845 0.951102 0.647482 H\n0.308155 0.451102 0.852518 H\n0.291890 0.679904 0.330800 H\n0.708110 0.179904 0.169200 H\n0.708110 0.320096 0.669200 H\n0.291890 0.820096 0.830800 H\n0.015835 0.564802 0.362019 H\n0.984165 0.064802 0.137981 H\n0.984165 0.435198 0.637981 H\n0.015835 0.935198 0.862019 H\n0.260793 0.585896 0.473860 H\n0.739207 0.085896 0.026140 H\n0.739207 0.414104 0.526140 H\n0.260793 0.914104 0.973860 H\n0.225068 0.167854 0.389250 N\n0.774932 0.667854 0.110750 N\n0.774932 0.832146 0.610750 N\n0.225068 0.332146 0.889250 N\n0.219295 0.564780 0.376779 N\n0.780705 0.064780 0.123221 N\n0.780705 0.435220 0.623221 N\n0.219295 0.935220 0.876779 N\n0.669365 0.366995 0.351608 F\n0.330635 0.866995 0.148392 F\n0.330635 0.633005 0.648392 F\n0.669365 0.133005 0.851608 F\n0.307441 0.354089 0.168833 F\n0.692559 0.854089 0.331167 F\n0.692559 0.645911 0.831167 F\n0.307441 0.145911 0.668833 F\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Be",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "Be-F-H-N",
            "density": 1.4449102341524986,
            "density_atomic": 0.1180658042115813,
            "volume": 372.67352976437826,
            "volume_molar": 5.10066466765258,
            "formula_full": "Be4 H24 N8 F8",
            "formula_reduced": "BeH6(NF)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -236.90190208,
            "energy_per_atom": -5.384134138181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -230.31790208,
            "band_gap": 5.8694,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.39e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:36.368000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-556088",
            "created_at": "2022-09-04T14:39:45.852963Z",
            "structure_string": "Si16 O32\n1.0\n5.155948 -6.364807 0.000000\n5.155948 6.364807 0.000000\n0.000000 0.000000 14.163088\nSi O\n16 32\ndirect\n0.337438 0.662562 0.500000 Si\n0.500000 0.500000 0.636573 Si\n0.089735 0.686563 0.816274 Si\n0.313437 0.910265 0.183726 Si\n0.837438 0.162562 0.000000 Si\n0.813437 0.410265 0.316274 Si\n0.000000 0.000000 0.863427 Si\n0.662562 0.337438 0.500000 Si\n0.686563 0.089735 0.183726 Si\n0.910265 0.313437 0.816274 Si\n0.500000 0.500000 0.363427 Si\n0.186563 0.589735 0.316274 Si\n0.410265 0.813437 0.683726 Si\n0.589735 0.186563 0.683726 Si\n0.162562 0.837438 0.000000 Si\n0.000000 0.000000 0.136573 Si\n0.000445 0.833608 0.071438 O\n0.500000 0.000000 0.716993 O\n0.250000 0.750000 0.750000 O\n0.323975 0.468022 0.304082 O\n0.468022 0.323975 0.695918 O\n0.999555 0.166392 0.071438 O\n0.250000 0.750000 0.250000 O\n0.823975 0.968022 0.195918 O\n0.031978 0.176025 0.804082 O\n0.140750 0.678199 0.929095 O\n0.000000 0.500000 0.783007 O\n0.859250 0.321801 0.929095 O\n0.178199 0.640750 0.429095 O\n0.676025 0.531978 0.304082 O\n0.359250 0.821801 0.570905 O\n0.176025 0.031978 0.195918 O\n0.000000 0.500000 0.283007 O\n0.640750 0.178199 0.570905 O\n0.666392 0.499555 0.571438 O\n0.833608 0.000445 0.928562 O\n0.678199 0.140750 0.070905 O\n0.321801 0.859250 0.070905 O\n0.500445 0.333608 0.428562 O\n0.333608 0.500445 0.571438 O\n0.968022 0.823975 0.804082 O\n0.499555 0.666392 0.428562 O\n0.750000 0.250000 0.750000 O\n0.500000 0.000000 0.216993 O\n0.166392 0.999555 0.928562 O\n0.531978 0.676025 0.695918 O\n0.821801 0.359250 0.429095 O\n0.750000 0.250000 0.250000 O\n",
            "nsites": 48,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.717308695781594,
            "density_atomic": 0.0516368237523415,
            "volume": 929.5691816796422,
            "volume_molar": 11.662492621318371,
            "formula_full": "Si16 O32",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -397.09454786,
            "energy_per_atom": -8.272803080416667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -375.11054786,
            "band_gap": 5.8696,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.8e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.223000Z",
            "spacegroup": 68
        },
        {
            "id": "mp-1020025",
            "created_at": "2022-09-04T14:40:05.438613Z",
            "structure_string": "Li16 B48 O80\n1.0\n7.668869 0.000000 0.000000\n0.000000 8.386026 0.000000\n0.000000 0.000000 17.440297\nLi B O\n16 48 80\ndirect\n0.250000 0.700071 0.841611 Li\n0.250000 0.200071 0.658389 Li\n0.750000 0.299929 0.158389 Li\n0.750000 0.799929 0.341611 Li\n0.250000 0.773083 0.124671 Li\n0.250000 0.273083 0.375329 Li\n0.750000 0.226917 0.875329 Li\n0.750000 0.726917 0.624671 Li\n0.250000 0.964642 0.465681 Li\n0.250000 0.464642 0.034319 Li\n0.750000 0.035358 0.534319 Li\n0.750000 0.535358 0.965681 Li\n0.250000 0.104377 0.956629 Li\n0.250000 0.604377 0.543371 Li\n0.750000 0.895623 0.043371 Li\n0.750000 0.395623 0.456629 Li\n0.075433 0.570855 0.390364 B\n0.424567 0.070855 0.109636 B\n0.575433 0.429145 0.609636 B\n0.924567 0.929145 0.890364 B\n0.924567 0.429145 0.609636 B\n0.575433 0.929145 0.890364 B\n0.424567 0.570855 0.390364 B\n0.075433 0.070855 0.109636 B\n0.577936 0.604614 0.107445 B\n0.922064 0.104614 0.392555 B\n0.077936 0.395386 0.892555 B\n0.422064 0.895386 0.607445 B\n0.422064 0.395386 0.892555 B\n0.077936 0.895386 0.607445 B\n0.922064 0.604614 0.107445 B\n0.577936 0.104614 0.392555 B\n0.079311 0.621150 0.243924 B\n0.420689 0.121150 0.256076 B\n0.579311 0.378850 0.756076 B\n0.920689 0.878850 0.743924 B\n0.920689 0.378850 0.756076 B\n0.579311 0.878850 0.743924 B\n0.420689 0.621150 0.243924 B\n0.079311 0.121150 0.256076 B\n0.081798 0.761587 0.992175 B\n0.418202 0.261587 0.507825 B\n0.581798 0.238413 0.007825 B\n0.918202 0.738413 0.492175 B\n0.918202 0.238413 0.007825 B\n0.581798 0.738413 0.492175 B\n0.418202 0.761587 0.992175 B\n0.081798 0.261587 0.507825 B\n0.078642 0.868419 0.330917 B\n0.421358 0.368419 0.169083 B\n0.578642 0.131581 0.669083 B\n0.921358 0.631581 0.830917 B\n0.921358 0.131581 0.669083 B\n0.578642 0.631581 0.830917 B\n0.421358 0.868419 0.330917 B\n0.078642 0.368419 0.169083 B\n0.583341 0.876028 0.193618 B\n0.916659 0.376028 0.306382 B\n0.083341 0.123972 0.806382 B\n0.416659 0.623972 0.693618 B\n0.416659 0.123972 0.806382 B\n0.083341 0.623972 0.693618 B\n0.916659 0.876028 0.193618 B\n0.583341 0.376028 0.306382 B\n0.055028 0.564551 0.880296 O\n0.444972 0.064551 0.619704 O\n0.555028 0.435449 0.119704 O\n0.944972 0.935449 0.380296 O\n0.944972 0.435449 0.119704 O\n0.555028 0.935449 0.380296 O\n0.444972 0.564551 0.880296 O\n0.055028 0.064551 0.619704 O\n0.066480 0.657657 0.053037 O\n0.433520 0.157657 0.446963 O\n0.566480 0.342343 0.946963 O\n0.933520 0.842343 0.553037 O\n0.933520 0.342343 0.946963 O\n0.566480 0.842343 0.553037 O\n0.433520 0.657657 0.053037 O\n0.066480 0.157657 0.446963 O\n0.058090 0.660788 0.461517 O\n0.441910 0.160788 0.038483 O\n0.558090 0.339212 0.538483 O\n0.941910 0.839212 0.961517 O\n0.941910 0.339212 0.538483 O\n0.558090 0.839212 0.961517 O\n0.441910 0.660788 0.461517 O\n0.058090 0.160788 0.038483 O\n0.034534 0.692622 0.320402 O\n0.465466 0.192622 0.179598 O\n0.534534 0.307378 0.679598 O\n0.965466 0.807378 0.820402 O\n0.965466 0.307378 0.679598 O\n0.534534 0.807378 0.820402 O\n0.465466 0.692622 0.320402 O\n0.034534 0.192622 0.179598 O\n0.542509 0.692990 0.185055 O\n0.957491 0.192990 0.314945 O\n0.042509 0.307010 0.814945 O\n0.457491 0.807010 0.685055 O\n0.457491 0.307010 0.814945 O\n0.042509 0.807010 0.685055 O\n0.957491 0.692990 0.185055 O\n0.542509 0.192990 0.314945 O\n0.052731 0.943595 0.251158 O\n0.447269 0.443595 0.248842 O\n0.552731 0.056405 0.748842 O\n0.947269 0.556405 0.751158 O\n0.947269 0.056405 0.748842 O\n0.552731 0.556405 0.751158 O\n0.447269 0.943595 0.251158 O\n0.052731 0.443595 0.248842 O\n0.555816 0.949390 0.120611 O\n0.944184 0.449390 0.379389 O\n0.055816 0.050610 0.879389 O\n0.444184 0.550610 0.620611 O\n0.444184 0.050610 0.879389 O\n0.055816 0.550610 0.620611 O\n0.944184 0.949390 0.120611 O\n0.555816 0.449390 0.379389 O\n0.250000 0.506183 0.383895 O\n0.250000 0.006183 0.116105 O\n0.750000 0.493817 0.616105 O\n0.750000 0.993817 0.883895 O\n0.250000 0.608065 0.728698 O\n0.250000 0.108065 0.771302 O\n0.750000 0.391935 0.271302 O\n0.750000 0.891935 0.228698 O\n0.250000 0.660972 0.219499 O\n0.250000 0.160972 0.280501 O\n0.750000 0.339028 0.780501 O\n0.750000 0.839028 0.719499 O\n0.250000 0.799746 0.965284 O\n0.250000 0.299746 0.534716 O\n0.750000 0.200254 0.034716 O\n0.750000 0.700254 0.465284 O\n0.250000 0.855285 0.576497 O\n0.250000 0.355285 0.923503 O\n0.750000 0.144715 0.423503 O\n0.750000 0.644715 0.076497 O\n0.250000 0.891294 0.360670 O\n0.250000 0.391294 0.139330 O\n0.750000 0.108706 0.639330 O\n0.750000 0.608706 0.860670 O\n",
            "nsites": 144,
            "nelements": 3,
            "elements": [
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O",
            "density": 2.8276555959649774,
            "density_atomic": 0.12838701211373557,
            "volume": 1121.6087798073622,
            "volume_molar": 4.690615242813737,
            "formula_full": "Li16 B48 O80",
            "formula_reduced": "LiB3O5",
            "formula_anonymous": "AB3C5",
            "energy": -1146.73862399,
            "energy_per_atom": -7.963462666597222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1091.77862399,
            "band_gap": 5.8696,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.457000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-558203",
            "created_at": "2022-09-04T14:43:19.477546Z",
            "structure_string": "Si32 O64\n1.0\n15.804550 0.000000 0.000000\n0.000000 15.804550 0.000000\n0.000000 0.000000 9.959237\nSi O\n32 64\ndirect\n0.707642 0.081362 0.642349 Si\n0.571992 0.071992 0.156386 Si\n0.928008 0.571992 0.843614 Si\n0.071992 0.428008 0.156386 Si\n0.292358 0.918638 0.642349 Si\n0.792358 0.581362 0.642349 Si\n0.707642 0.081362 0.357651 Si\n0.792358 0.581362 0.357651 Si\n0.048331 0.133830 0.500000 Si\n0.951669 0.866170 0.500000 Si\n0.918638 0.707642 0.642349 Si\n0.292358 0.918638 0.357651 Si\n0.571992 0.071992 0.843614 Si\n0.207642 0.418638 0.357651 Si\n0.081362 0.292358 0.357651 Si\n0.548331 0.366170 0.500000 Si\n0.581362 0.207642 0.357651 Si\n0.928008 0.571992 0.156386 Si\n0.866170 0.048331 0.500000 Si\n0.418638 0.792358 0.357651 Si\n0.366170 0.451669 0.500000 Si\n0.207642 0.418638 0.642349 Si\n0.133830 0.951669 0.500000 Si\n0.581362 0.207642 0.642349 Si\n0.081362 0.292358 0.642349 Si\n0.918638 0.707642 0.357651 Si\n0.428008 0.928008 0.156386 Si\n0.071992 0.428008 0.843614 Si\n0.451669 0.633830 0.500000 Si\n0.428008 0.928008 0.843614 Si\n0.418638 0.792358 0.642349 Si\n0.633830 0.548331 0.500000 Si\n0.458670 0.828105 0.500000 O\n0.310232 0.431291 0.363697 O\n0.810232 0.068709 0.636303 O\n0.171895 0.458670 0.500000 O\n0.000000 0.500000 0.168192 O\n0.689768 0.568709 0.636303 O\n0.828105 0.541330 0.500000 O\n0.961949 0.659211 0.770059 O\n0.000000 0.500000 0.831808 O\n0.840789 0.538051 0.229941 O\n0.182835 0.317165 0.648588 O\n0.159211 0.461949 0.229941 O\n0.931291 0.810232 0.363697 O\n0.961949 0.659211 0.229941 O\n0.682835 0.182835 0.351412 O\n0.317165 0.817165 0.351412 O\n0.461949 0.840789 0.229941 O\n0.392230 0.550790 0.500000 O\n0.607770 0.449210 0.500000 O\n0.431291 0.689768 0.363697 O\n0.182835 0.317165 0.351412 O\n0.538051 0.159211 0.229941 O\n0.500000 0.000000 0.168192 O\n0.568709 0.310232 0.363697 O\n0.038051 0.340789 0.229941 O\n0.840789 0.538051 0.770059 O\n0.892230 0.949210 0.500000 O\n0.159211 0.461949 0.770059 O\n0.538051 0.159211 0.770059 O\n0.449210 0.392230 0.500000 O\n0.340789 0.961949 0.229941 O\n0.659211 0.038051 0.229941 O\n0.817165 0.682835 0.648588 O\n0.107770 0.050790 0.500000 O\n0.340789 0.961949 0.770059 O\n0.810232 0.068709 0.363697 O\n0.050790 0.892230 0.500000 O\n0.500000 0.000000 0.831808 O\n0.068709 0.189768 0.636303 O\n0.461949 0.840789 0.770059 O\n0.407831 0.907831 0.000000 O\n0.592169 0.092169 0.000000 O\n0.189768 0.931291 0.636303 O\n0.568709 0.310232 0.636303 O\n0.907831 0.592169 0.000000 O\n0.931291 0.810232 0.636303 O\n0.431291 0.689768 0.636303 O\n0.682835 0.182835 0.648588 O\n0.310232 0.431291 0.636303 O\n0.068709 0.189768 0.363697 O\n0.659211 0.038051 0.770059 O\n0.189768 0.931291 0.363697 O\n0.041330 0.328105 0.500000 O\n0.038051 0.340789 0.770059 O\n0.328105 0.958670 0.500000 O\n0.092169 0.407831 0.000000 O\n0.317165 0.817165 0.648588 O\n0.949210 0.107770 0.500000 O\n0.671895 0.041330 0.500000 O\n0.689768 0.568709 0.363697 O\n0.541330 0.171895 0.500000 O\n0.817165 0.682835 0.351412 O\n0.550790 0.607770 0.500000 O\n0.958670 0.671895 0.500000 O\n",
            "nsites": 96,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.28342278364601,
            "density_atomic": 0.03859054358814994,
            "volume": 2487.656069956964,
            "volume_molar": 15.605223974738797,
            "formula_full": "Si32 O64",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -795.9367145599999,
            "energy_per_atom": -8.291007443333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -751.96871456,
            "band_gap": 5.8698,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0024713,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.286000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1207980",
            "created_at": "2022-09-04T14:42:16.520197Z",
            "structure_string": "Tm2 Zr2 F14\n1.0\n0.000000 -5.664627 0.000000\n-5.903495 0.000000 1.330962\n-0.069684 0.000000 -8.229583\nTm Zr F\n2 2 14\ndirect\n0.697503 0.653950 0.682572 Tm\n0.197503 0.346050 0.317428 Tm\n0.707272 0.811631 0.223347 Zr\n0.207272 0.188369 0.776653 Zr\n0.890962 0.455420 0.478400 F\n0.390962 0.544580 0.521600 F\n0.429063 0.919761 0.766392 F\n0.929063 0.080239 0.233608 F\n0.941541 0.954585 0.759482 F\n0.441541 0.045415 0.240518 F\n0.991614 0.460343 0.786226 F\n0.491614 0.539657 0.213774 F\n0.702519 0.754244 0.972477 F\n0.202519 0.245756 0.027523 F\n0.709507 0.860244 0.476530 F\n0.209507 0.139756 0.523470 F\n0.506377 0.381343 0.780010 F\n0.006377 0.618657 0.219990 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Tm",
                "Zr",
                "F"
            ],
            "chemical_system": "F-Tm-Zr",
            "density": 4.735299565451896,
            "density_atomic": 0.06528086025149812,
            "volume": 275.73166056105885,
            "volume_molar": 9.22497151048465,
            "formula_full": "Tm2 Zr2 F14",
            "formula_reduced": "TmZrF7",
            "formula_anonymous": "ABC7",
            "energy": -129.12938552,
            "energy_per_atom": -7.1738547511111115,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -122.66138552,
            "band_gap": 5.8705,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009504,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:32.907000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1111453",
            "created_at": "2022-09-04T14:41:16.607432Z",
            "structure_string": "Cs1 Rb2 Sc1 F6\n1.0\n0.000000 4.842960 4.842960\n4.842960 0.000000 4.842960\n4.842960 4.842960 0.000000\nCs Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.789704 0.210296 0.210296 F\n0.210296 0.210296 0.789704 F\n0.210296 0.789704 0.789704 F\n0.210296 0.789704 0.210296 F\n0.789704 0.210296 0.789704 F\n0.789704 0.789704 0.210296 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Rb",
                "Sc",
                "F"
            ],
            "chemical_system": "Cs-F-Rb-Sc",
            "density": 3.3827349148735437,
            "density_atomic": 0.04401871477505927,
            "volume": 227.17610114473263,
            "volume_molar": 13.68086458401577,
            "formula_full": "Cs1 Rb2 Sc1 F6",
            "formula_reduced": "CsRb2ScF6",
            "formula_anonymous": "ABC2D6",
            "energy": -55.53347261,
            "energy_per_atom": -5.553347261,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.76147261,
            "band_gap": 5.8718,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005844,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.031000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-556591",
            "created_at": "2022-09-04T14:44:26.005957Z",
            "structure_string": "Si18 O36\n1.0\n0.000000 8.879494 9.034015\n6.843585 0.000000 9.034015\n6.843585 8.879494 0.000000\nSi O\n18 36\ndirect\n0.321816 0.297640 0.928053 Si\n0.925934 0.705854 0.074066 Si\n0.452491 0.928053 0.297640 Si\n0.297640 0.321816 0.452491 Si\n0.071947 0.547509 0.678184 Si\n0.547509 0.071947 0.702360 Si\n0.389903 0.787872 0.610097 Si\n0.212128 0.610097 0.787872 Si\n0.928053 0.452491 0.321816 Si\n0.074066 0.294146 0.925934 Si\n0.702360 0.678184 0.547509 Si\n0.705854 0.925934 0.294146 Si\n0.250000 0.250000 0.250000 Si\n0.678184 0.702360 0.071947 Si\n0.294146 0.074066 0.705854 Si\n0.787872 0.389903 0.212128 Si\n0.750000 0.750000 0.750000 Si\n0.610097 0.212128 0.389903 Si\n0.684892 0.923170 0.712161 O\n0.449324 0.314406 0.400391 O\n0.564104 0.966656 0.286107 O\n0.529505 0.834308 0.165692 O\n0.320224 0.287839 0.076830 O\n0.966656 0.564104 0.183134 O\n0.713893 0.816866 0.435896 O\n0.165692 0.470495 0.529505 O\n0.400391 0.835879 0.449324 O\n0.834308 0.529505 0.470495 O\n0.149657 0.149657 0.850343 O\n0.550676 0.685594 0.599609 O\n0.033344 0.435896 0.816866 O\n0.816866 0.713893 0.033344 O\n0.685594 0.550676 0.164121 O\n0.470495 0.165692 0.834308 O\n0.929037 0.304832 0.070963 O\n0.850343 0.850343 0.149657 O\n0.076830 0.315108 0.320224 O\n0.599609 0.164121 0.550676 O\n0.183134 0.286107 0.966656 O\n0.435896 0.033344 0.713893 O\n0.695168 0.070963 0.304832 O\n0.301918 0.698082 0.698082 O\n0.712161 0.679776 0.684892 O\n0.835879 0.400391 0.314406 O\n0.314406 0.449324 0.835879 O\n0.698082 0.301918 0.301918 O\n0.286107 0.183134 0.564104 O\n0.287839 0.320224 0.315108 O\n0.164121 0.599609 0.685594 O\n0.304832 0.929037 0.695168 O\n0.315108 0.076830 0.287839 O\n0.923170 0.684892 0.679776 O\n0.679776 0.712161 0.923170 O\n0.070963 0.695168 0.929037 O\n",
            "nsites": 54,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.6356859438263578,
            "density_atomic": 0.04918255349374051,
            "volume": 1097.9503129473057,
            "volume_molar": 12.244465429730974,
            "formula_full": "Si18 O36",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -451.39252479,
            "energy_per_atom": -8.359120829444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -426.66052479,
            "band_gap": 5.873200000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.27e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:37.974000Z",
            "spacegroup": 69
        },
        {
            "id": "mp-1222565",
            "created_at": "2022-09-04T14:39:19.428503Z",
            "structure_string": "Li8 B14 Cl2 O24\n1.0\n7.484052 -4.374440 0.000000\n7.484052 4.374440 0.000000\n4.927186 0.000000 7.132293\nLi B Cl O\n8 14 2 24\ndirect\n0.492696 0.492803 0.018197 Li\n0.492803 0.018197 0.492696 Li\n0.018197 0.492696 0.492803 Li\n0.992696 0.518197 0.992803 Li\n0.518197 0.992803 0.992696 Li\n0.992803 0.992696 0.518197 Li\n0.631919 0.631919 0.631919 Li\n0.131919 0.131919 0.131919 Li\n0.400076 0.400076 0.400076 B\n0.399898 0.396673 0.803934 B\n0.803934 0.399898 0.396673 B\n0.396673 0.803934 0.399898 B\n0.303934 0.896673 0.899898 B\n0.896673 0.899898 0.303934 B\n0.900076 0.900076 0.900076 B\n0.899898 0.303934 0.896673 B\n0.247709 0.252292 0.748766 B\n0.252292 0.748766 0.247709 B\n0.748766 0.247709 0.252292 B\n0.747709 0.248766 0.752292 B\n0.248766 0.752292 0.747709 B\n0.752292 0.747709 0.248766 B\n0.243210 0.243210 0.243210 Cl\n0.743210 0.743210 0.743210 Cl\n0.562786 0.387190 0.247923 O\n0.387190 0.247923 0.562786 O\n0.247923 0.562786 0.387190 O\n0.395918 0.563198 0.795580 O\n0.242402 0.387671 0.809891 O\n0.560718 0.243789 0.803962 O\n0.809891 0.242402 0.387671 O\n0.803962 0.560718 0.243789 O\n0.795580 0.395918 0.563198 O\n0.243789 0.803962 0.560718 O\n0.563198 0.795580 0.395918 O\n0.387671 0.809891 0.242402 O\n0.309891 0.887671 0.742402 O\n0.303962 0.743789 0.060718 O\n0.295580 0.063198 0.895918 O\n0.743789 0.060718 0.303962 O\n0.063198 0.895918 0.295580 O\n0.887671 0.742402 0.309891 O\n0.062786 0.747923 0.887190 O\n0.887190 0.062786 0.747923 O\n0.747923 0.887190 0.062786 O\n0.895918 0.295580 0.063198 O\n0.742402 0.309891 0.887671 O\n0.060718 0.303962 0.743789 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "B",
                "Cl",
                "O"
            ],
            "chemical_system": "B-Cl-Li-O",
            "density": 2.353098479783145,
            "density_atomic": 0.10278335870002576,
            "volume": 467.00166843242073,
            "volume_molar": 5.859062046781013,
            "formula_full": "Li8 B14 Cl2 O24",
            "formula_reduced": "Li4B7ClO12",
            "formula_anonymous": "AB4C7D12",
            "energy": -363.7126053,
            "energy_per_atom": -7.57734594375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -345.9966053,
            "band_gap": 5.8739,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0038346,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.104000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-657176",
            "created_at": "2022-09-04T14:43:13.287475Z",
            "structure_string": "Yb4 Be4 F16\n1.0\n6.573537 0.000000 0.000000\n-1.656999 6.921039 0.000000\n-0.339961 -1.889954 7.270914\nYb Be F\n4 4 16\ndirect\n0.241246 0.012172 0.884935 Yb\n0.223364 0.939324 0.419650 Yb\n0.800140 0.996931 0.145937 Yb\n0.750609 0.110473 0.691640 Yb\n0.794222 0.591214 0.615287 Be\n0.238995 0.478912 0.298740 Be\n0.409749 0.357915 0.604914 Be\n0.609607 0.629818 0.232883 Be\n0.515196 0.818998 0.284982 F\n0.397211 0.445881 0.163651 F\n0.414531 0.896620 0.647658 F\n0.968611 0.148949 0.941852 F\n0.747859 0.668928 0.084588 F\n0.277798 0.239304 0.723178 F\n0.884879 0.424715 0.654099 F\n0.575859 0.089484 0.979779 F\n0.245168 0.386744 0.455941 F\n0.140138 0.971737 0.148133 F\n0.104925 0.613475 0.299215 F\n0.942694 0.805918 0.691172 F\n0.714252 0.581654 0.403512 F\n0.518277 0.201481 0.488928 F\n0.916055 0.032922 0.439748 F\n0.568614 0.556431 0.699576 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Yb",
                "Be",
                "F"
            ],
            "chemical_system": "Be-F-Yb",
            "density": 5.181392101490408,
            "density_atomic": 0.07255240707075586,
            "volume": 330.7953652949693,
            "volume_molar": 8.30040105234135,
            "formula_full": "Yb4 Be4 F16",
            "formula_reduced": "YbBeF4",
            "formula_anonymous": "ABC4",
            "energy": -145.25388547,
            "energy_per_atom": -6.052245227916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -137.86188547,
            "band_gap": 5.8747,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.86e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:04.488000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-549389",
            "created_at": "2022-09-04T14:47:12.043072Z",
            "structure_string": "Li4 C1 O4\n1.0\n2.988900 2.999570 0.000000\n-2.988900 2.999570 0.000000\n0.000000 2.939909 3.952656\nLi C O\n4 1 4\ndirect\n0.761132 0.761132 0.267390 Li\n0.366404 0.366404 0.257684 Li\n0.461308 0.061091 0.836830 Li\n0.061091 0.461308 0.836830 Li\n0.926609 0.926609 0.549523 C\n0.838189 0.222850 0.336595 O\n0.630477 0.630477 0.761838 O\n0.013274 0.013274 0.762462 O\n0.222850 0.838189 0.336595 O\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Li",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-O",
            "density": 2.431314491184357,
            "density_atomic": 0.1269852002173977,
            "volume": 70.87440098997418,
            "volume_molar": 4.742395767136754,
            "formula_full": "Li4 C1 O4",
            "formula_reduced": "Li4CO4",
            "formula_anonymous": "AB4C4",
            "energy": -54.67598144,
            "energy_per_atom": -6.075109048888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.92798144,
            "band_gap": 5.8749,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001578,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:00.009000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1032034",
            "created_at": "2022-09-04T14:44:14.322997Z",
            "structure_string": "Sr1 Mg6 Zn1 O8\n1.0\n8.736203 0.000000 0.000000\n0.000000 4.491509 0.000000\n0.000000 0.000000 4.491509\nSr Mg Zn O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260272 -0.000000 0.500000 Mg\n0.739728 0.000000 0.500000 Mg\n0.260272 0.500000 -0.000000 Mg\n0.739728 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.254457 -0.000000 0.000000 O\n0.745543 0.000000 -0.000000 O\n0.272925 0.500000 0.500000 O\n0.727075 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": [
                "Sr",
                "Mg",
                "Zn",
                "O"
            ],
            "chemical_system": "Mg-O-Sr-Zn",
            "density": 4.021808530391062,
            "density_atomic": 0.09078471136290973,
            "volume": 176.2411287076783,
            "volume_molar": 6.633430529868223,
            "formula_full": "Sr1 Mg6 Zn1 O8",
            "formula_reduced": "SrMg6ZnO8",
            "formula_anonymous": "ABC6D8",
            "energy": -95.50572292,
            "energy_per_atom": -5.9691076825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.00972292,
            "band_gap": 5.8771,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:29.016000Z",
            "spacegroup": 123
        }
    ]
}