{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=12172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=12170","results":[{"id":"mp-1034838","created_at":"2022-09-04T14:40:23.136736Z","structure_string":"Ba1 Mg14 Ni1 O16\n1.0\n8.732483 0.000000 0.000000\n0.000000 8.732483 -0.000000\n0.000000 -0.000000 4.493243\nBa Mg Ni O\n1 14 1 16\ndirect\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.245568 0.500000 Mg\n-0.000000 0.754432 0.500000 Mg\n0.500000 0.234643 0.500000 Mg\n0.500000 0.765357 0.500000 Mg\n0.245568 -0.000000 0.500000 Mg\n0.234643 0.500000 0.500000 Mg\n0.754432 -0.000000 0.500000 Mg\n0.765357 0.500000 0.500000 Mg\n0.240334 0.240334 -0.000000 Mg\n0.240334 0.759666 0.000000 Mg\n0.759666 0.240334 -0.000000 Mg\n0.759666 0.759666 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Ni\n0.242943 -0.000000 -0.000000 O\n0.218791 0.500000 -0.000000 O\n0.757057 -0.000000 -0.000000 O\n0.781209 0.500000 -0.000000 O\n0.248298 0.248298 0.500000 O\n0.248298 0.751702 0.500000 O\n0.751702 0.248298 0.500000 O\n0.751702 0.751702 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.242943 -0.000000 O\n0.000000 0.757057 -0.000000 O\n0.500000 0.218791 -0.000000 O\n0.500000 0.781209 0.000000 O\n","nsites":32,"nelements":4,"elements":["Ba","Mg","Ni","O"],"chemical_system":"Ba-Mg-Ni-O","density":3.839660488936512,"density_atomic":0.09339305334362022,"volume":342.6379035094044,"volume_molar":6.44816776451541,"formula_full":"Ba1 Mg14 Ni1 O16","formula_reduced":"BaMg14NiO16","formula_anonymous":"ABC14D16","energy":-196.85455271,"energy_per_atom":-6.1517047721875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.32155271,"band_gap":6.9848,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999977,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.320000Z","spacegroup":123},{"id":"mp-17697","created_at":"2022-09-04T14:42:09.178185Z","structure_string":"K4 Sm4 F16\n1.0\n3.721329 0.000000 0.000000\n0.000000 6.234989 0.000000\n0.000000 0.000000 15.729071\nK Sm F\n4 4 16\ndirect\n0.750000 0.722284 0.797906 K\n0.250000 0.277716 0.202094 K\n0.750000 0.222284 0.702094 K\n0.250000 0.777716 0.297906 K\n0.250000 0.748656 0.559855 Sm\n0.750000 0.251344 0.440145 Sm\n0.250000 0.248656 0.940145 Sm\n0.750000 0.751344 0.059855 Sm\n0.250000 0.908099 0.690379 F\n0.750000 0.091901 0.309621 F\n0.250000 0.408099 0.809621 F\n0.750000 0.591901 0.190379 F\n0.750000 0.605745 0.632636 F\n0.250000 0.394255 0.367364 F\n0.750000 0.105745 0.867364 F\n0.250000 0.894255 0.132636 F\n0.750000 0.633721 0.464169 F\n0.250000 0.366279 0.535831 F\n0.750000 0.133721 0.035831 F\n0.250000 0.866279 0.964169 F\n0.250000 0.495152 0.057245 F\n0.750000 0.504848 0.942755 F\n0.250000 0.995152 0.442755 F\n0.750000 0.004848 0.557245 F\n","nsites":24,"nelements":3,"elements":["K","Sm","F"],"chemical_system":"F-K-Sm","density":4.831234479957292,"density_atomic":0.06576190870738213,"volume":364.9529107616347,"volume_molar":9.157490830742846,"formula_full":"K4 Sm4 F16","formula_reduced":"KSmF4","formula_anonymous":"ABC4","energy":-149.74665689,"energy_per_atom":-6.2394440370833335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.35465689,"band_gap":6.9859,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018613,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.810000Z","spacegroup":62},{"id":"mp-1211612","created_at":"2022-09-04T14:46:22.836836Z","structure_string":"K2 Dy6 F20\n1.0\n0.000000 5.826598 5.826598\n5.826598 0.000000 5.826598\n5.826598 5.826598 0.000000\nK Dy F\n2 6 20\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.759463 0.240537 0.240537 Dy\n0.240537 0.759463 0.759463 Dy\n0.240537 0.759463 0.240537 Dy\n0.759463 0.240537 0.759463 Dy\n0.240537 0.240537 0.759463 Dy\n0.759463 0.759463 0.240537 Dy\n0.830445 0.500000 0.500000 F\n0.169555 0.500000 0.500000 F\n0.500000 0.830445 0.169555 F\n0.500000 0.169555 0.830445 F\n0.500000 0.830445 0.500000 F\n0.169555 0.500000 0.830445 F\n0.500000 0.169555 0.500000 F\n0.830445 0.500000 0.169555 F\n0.500000 0.500000 0.830445 F\n0.500000 0.500000 0.169555 F\n0.169555 0.830445 0.500000 F\n0.830445 0.169555 0.500000 F\n0.112030 0.112030 0.112030 F\n0.887970 0.887970 0.887970 F\n0.112030 0.112030 0.663910 F\n0.112030 0.663910 0.112030 F\n0.887970 0.887970 0.336090 F\n0.887970 0.336090 0.887970 F\n0.663910 0.112030 0.112030 F\n0.336090 0.887970 0.887970 F\n","nsites":28,"nelements":3,"elements":["K","Dy","F"],"chemical_system":"Dy-F-K","density":6.01547639852139,"density_atomic":0.07077548748720985,"volume":395.6171973391211,"volume_molar":8.508794462331732,"formula_full":"K2 Dy6 F20","formula_reduced":"KDy3F10","formula_anonymous":"AB3C10","energy":-188.472123,"energy_per_atom":-6.73114725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.232123,"band_gap":6.988300000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.264000Z","spacegroup":225},{"id":"mp-1033762","created_at":"2022-09-04T14:42:26.380290Z","structure_string":"Mg14 Cd1 Bi1 O16\n1.0\n8.806554 0.000000 0.000000\n0.000000 8.806554 0.000000\n-0.000000 -0.000000 4.459240\nMg Cd Bi O\n14 1 1 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.252080 0.500000 Mg\n-0.000000 0.747920 0.500000 Mg\n0.500000 0.234658 0.500000 Mg\n0.500000 0.765342 0.500000 Mg\n0.252080 -0.000000 0.500000 Mg\n0.234658 0.500000 0.500000 Mg\n0.747920 -0.000000 0.500000 Mg\n0.765342 0.500000 0.500000 Mg\n0.242387 0.242387 -0.000000 Mg\n0.242387 0.757613 -0.000000 Mg\n0.757613 0.242387 0.000000 Mg\n0.757613 0.757613 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Cd\n0.500000 0.500000 -0.000000 Bi\n0.268415 -0.000000 0.000000 O\n0.234549 0.500000 0.000000 O\n0.731585 -0.000000 -0.000000 O\n0.765451 0.500000 -0.000000 O\n0.252053 0.252053 0.500000 O\n0.252053 0.747947 0.500000 O\n0.747947 0.252053 0.500000 O\n0.747947 0.747947 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.268415 -0.000000 O\n-0.000000 0.731585 0.000000 O\n0.500000 0.234549 0.000000 O\n0.500000 0.765451 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Cd","Bi","O"],"chemical_system":"Bi-Cd-Mg-O","density":4.406098140718242,"density_atomic":0.09252884186337056,"volume":345.8381122639757,"volume_molar":6.508393100707325,"formula_full":"Mg14 Cd1 Bi1 O16","formula_reduced":"Mg14CdBiO16","formula_anonymous":"ABC14D16","energy":-191.70964744,"energy_per_atom":-5.9909264825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.71764744,"band_gap":6.9885,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.1928411,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.690000Z","spacegroup":123},{"id":"mp-3775","created_at":"2022-09-04T14:45:20.768989Z","structure_string":"Na6 Si3 F18\n1.0\n4.509993 -7.811537 0.000000\n4.509993 7.811537 0.000000\n0.000000 0.000000 5.114754\nNa Si F\n6 3 18\ndirect\n0.000000 0.288360 0.500000 Na\n0.288360 0.000000 0.500000 Na\n0.711640 0.711640 0.500000 Na\n0.000000 0.622750 0.000000 Na\n0.622750 0.000000 0.000000 Na\n0.377250 0.377250 0.000000 Na\n0.666667 0.333333 0.493487 Si\n0.333333 0.666667 0.506513 Si\n0.000000 0.000000 0.000000 Si\n0.739724 0.226908 0.686961 F\n0.773092 0.512816 0.686961 F\n0.487184 0.260276 0.686961 F\n0.512816 0.773092 0.313039 F\n0.260276 0.487184 0.313039 F\n0.226908 0.739724 0.313039 F\n0.596783 0.442158 0.299639 F\n0.557842 0.154625 0.299639 F\n0.845375 0.403217 0.299639 F\n0.084899 0.904497 0.808264 F\n0.095503 0.180402 0.808264 F\n0.819598 0.915101 0.808264 F\n0.180402 0.095503 0.191736 F\n0.915101 0.819598 0.191736 F\n0.904497 0.084899 0.191736 F\n0.442158 0.596783 0.700361 F\n0.403217 0.845375 0.700361 F\n0.154625 0.557842 0.700361 F\n","nsites":27,"nelements":3,"elements":["Na","Si","F"],"chemical_system":"F-Na-Si","density":2.599496194261372,"density_atomic":0.07491980802324438,"volume":360.3853334971583,"volume_molar":8.03811557836826,"formula_full":"Na6 Si3 F18","formula_reduced":"Na2SiF6","formula_anonymous":"AB2C6","energy":-149.76094615,"energy_per_atom":-5.546701709259259,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.44494615,"band_gap":6.9951,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003262,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.723000Z","spacegroup":150},{"id":"mp-16577","created_at":"2022-09-04T14:42:01.348791Z","structure_string":"Li2 Ca1 Hf1 F8\n1.0\n-2.588311 2.588311 5.305292\n2.588311 -2.588311 5.305292\n2.588311 2.588311 -5.305292\nLi Ca Hf F\n2 1 1 8\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Hf\n0.490948 0.467251 0.597855 F\n0.237145 0.798690 0.857042 F\n0.532749 0.130604 0.023698 F\n0.106907 0.509052 0.976302 F\n0.869396 0.893093 0.402145 F\n0.201310 0.058352 0.438455 F\n0.941648 0.380103 0.142958 F\n0.619897 0.762855 0.561545 F\n","nsites":12,"nelements":4,"elements":["Li","Ca","Hf","F"],"chemical_system":"Ca-F-Hf-Li","density":4.490268721338051,"density_atomic":0.08440711304353277,"volume":142.16811317561624,"volume_molar":7.134636576059764,"formula_full":"Li2 Ca1 Hf1 F8","formula_reduced":"Li2CaHfF8","formula_anonymous":"ABC2D8","energy":-77.68880361,"energy_per_atom":-6.4740669675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.99280361,"band_gap":6.9952000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.24e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:36.404000Z","spacegroup":82},{"id":"mp-10492","created_at":"2022-09-04T14:43:07.232523Z","structure_string":"Rb2 Si1 F6\n1.0\n0.000000 4.305834 4.305834\n4.305834 0.000000 4.305834\n4.305834 4.305834 0.000000\nRb Si F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Si\n0.799969 0.799969 0.200031 F\n0.799969 0.200031 0.799969 F\n0.200031 0.799969 0.200031 F\n0.200031 0.200031 0.799969 F\n0.200031 0.799969 0.799969 F\n0.799969 0.200031 0.200031 F\n","nsites":9,"nelements":3,"elements":["Rb","Si","F"],"chemical_system":"F-Rb-Si","density":3.255424097966651,"density_atomic":0.05636904350197323,"volume":159.66210247447165,"volume_molar":10.683418390431251,"formula_full":"Rb2 Si1 F6","formula_reduced":"Rb2SiF6","formula_anonymous":"AB2C6","energy":-49.75985039,"energy_per_atom":-5.528872265555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.98785039,"band_gap":6.9955,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002149,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.623000Z","spacegroup":225},{"id":"mp-752484","created_at":"2022-09-04T14:46:57.337371Z","structure_string":"Yb2 B8 O14\n1.0\n4.215144 0.000000 0.000000\n0.000000 4.379931 0.000000\n0.000000 0.000000 10.634263\nYb B O\n2 8 14\ndirect\n0.467941 0.805944 0.500000 Yb\n0.967941 0.194056 0.000000 Yb\n0.001692 0.822309 0.751212 B\n0.001692 0.822309 0.248788 B\n0.478626 0.673921 0.879748 B\n0.478626 0.673921 0.120252 B\n0.501692 0.177691 0.748788 B\n0.501692 0.177691 0.251212 B\n0.978626 0.326079 0.620252 B\n0.978626 0.326079 0.379748 B\n0.055643 0.648311 0.637859 O\n0.055643 0.648311 0.362141 O\n0.093706 0.217558 0.500000 O\n0.137691 0.726759 0.867963 O\n0.137691 0.726759 0.132037 O\n0.142815 0.137013 0.724629 O\n0.142815 0.137013 0.275371 O\n0.555643 0.351689 0.862141 O\n0.555643 0.351689 0.137859 O\n0.593706 0.782442 0.000000 O\n0.637691 0.273241 0.632037 O\n0.637691 0.273241 0.367963 O\n0.642815 0.862987 0.775371 O\n0.642815 0.862987 0.224629 O\n","nsites":24,"nelements":3,"elements":["Yb","B","O"],"chemical_system":"B-O-Yb","density":5.553108663359154,"density_atomic":0.1222430452481608,"volume":196.3301875479177,"volume_molar":4.926366770211499,"formula_full":"Yb2 B8 O14","formula_reduced":"YbB4O7","formula_anonymous":"AB4C7","energy":-199.15220543,"energy_per_atom":-8.298008559583334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.53420543,"band_gap":6.996500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.880000Z","spacegroup":31},{"id":"mp-556237","created_at":"2022-09-04T14:47:29.597841Z","structure_string":"K4 Li4 Y4 F20\n1.0\n11.913211 0.000000 0.000000\n0.000000 6.392221 0.000000\n0.000000 2.635217 5.996395\nK Li Y F\n4 4 4 20\ndirect\n0.849288 0.037419 0.946604 K\n0.650712 0.537419 0.946604 K\n0.349288 0.462581 0.053396 K\n0.150712 0.962581 0.053396 K\n0.745231 0.461897 0.440975 Li\n0.754769 0.961897 0.440975 Li\n0.254769 0.538103 0.559025 Li\n0.245231 0.038103 0.559025 Li\n0.997798 0.319964 0.317898 Y\n0.002202 0.680036 0.682102 Y\n0.502202 0.819964 0.317898 Y\n0.497798 0.180036 0.682102 Y\n0.674479 0.279444 0.712696 F\n0.604747 0.965439 0.535504 F\n0.325521 0.720556 0.287304 F\n0.007313 0.327376 0.955053 F\n0.174479 0.220556 0.287304 F\n0.395253 0.034561 0.464496 F\n0.895253 0.465439 0.535504 F\n0.532350 0.452824 0.335300 F\n0.804838 0.277503 0.278570 F\n0.304838 0.222497 0.721430 F\n0.467650 0.547176 0.664700 F\n0.992687 0.672624 0.044947 F\n0.195162 0.722497 0.721430 F\n0.507313 0.172624 0.044947 F\n0.967650 0.952824 0.335300 F\n0.695162 0.777503 0.278570 F\n0.032350 0.047176 0.664700 F\n0.825521 0.779444 0.712696 F\n0.104747 0.534561 0.464496 F\n0.492687 0.827376 0.955053 F\n","nsites":32,"nelements":4,"elements":["K","Li","Y","F"],"chemical_system":"F-K-Li-Y","density":3.344624867052609,"density_atomic":0.0700775854417469,"volume":456.63673767128444,"volume_molar":8.59353347013647,"formula_full":"K4 Li4 Y4 F20","formula_reduced":"KLiYF5","formula_anonymous":"ABCD5","energy":-197.61677011,"energy_per_atom":-6.1755240659375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.37677011,"band_gap":6.9969,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.13e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.355000Z","spacegroup":14},{"id":"mp-683945","created_at":"2022-09-04T14:39:32.039328Z","structure_string":"K8 Er24 F80\n1.0\n4.091818 7.087018 0.000000\n-4.091818 7.087018 0.000000\n0.000000 4.689465 26.800114\nK Er F\n8 24 80\ndirect\n0.658869 0.658869 0.497112 K\n0.495046 0.495046 0.995042 K\n0.789608 0.789608 0.121824 K\n0.287206 0.287206 0.615355 K\n0.913618 0.913618 0.745837 K\n0.410686 0.410686 0.245268 K\n0.036077 0.036077 0.371958 K\n0.205532 0.205532 0.871196 K\n0.546776 0.024765 0.369485 Er\n0.789116 0.789116 0.617540 Er\n0.003918 0.003918 0.997643 Er\n0.896210 0.417200 0.748044 Er\n0.024765 0.546776 0.369485 Er\n0.485409 0.000764 0.999435 Er\n0.544949 0.544949 0.370103 Er\n0.279728 0.279728 0.118287 Er\n0.698964 0.698964 0.869532 Er\n0.801196 0.279849 0.118063 Er\n0.902537 0.419583 0.248465 Er\n0.155094 0.673613 0.499008 Er\n0.417200 0.896210 0.748044 Er\n0.697561 0.218488 0.869019 Er\n0.279849 0.801196 0.118063 Er\n0.419583 0.902537 0.248465 Er\n0.000764 0.485409 0.999435 Er\n0.272145 0.790986 0.618318 Er\n0.901947 0.901947 0.246974 Er\n0.418110 0.418110 0.746617 Er\n0.154484 0.154484 0.498974 Er\n0.218488 0.697561 0.869019 Er\n0.673613 0.155094 0.499008 Er\n0.790986 0.272145 0.618318 Er\n0.593073 0.923539 0.681641 F\n0.591186 0.269284 0.681199 F\n0.918145 0.263857 0.684995 F\n0.769619 0.091621 0.181593 F\n0.981831 0.430863 0.086242 F\n0.849391 0.511729 0.599093 F\n0.425635 0.092624 0.182901 F\n0.863431 0.863431 0.337120 F\n0.518823 0.518823 0.599284 F\n0.715230 0.268353 0.780502 F\n0.127224 0.462052 0.762918 F\n0.184337 0.526346 0.935729 F\n0.184740 0.184740 0.267082 F\n0.857262 0.182926 0.931989 F\n0.278744 0.834950 0.530947 F\n0.850770 0.179085 0.264781 F\n0.040339 0.717049 0.016228 F\n0.402593 0.402593 0.836726 F\n0.423457 0.765229 0.184119 F\n0.092624 0.425635 0.182901 F\n0.710109 0.710109 0.018624 F\n0.680903 0.020174 0.434103 F\n0.128949 0.128949 0.765615 F\n0.430863 0.981831 0.086242 F\n0.696857 0.696857 0.394095 F\n0.263857 0.918145 0.684995 F\n0.993187 0.644469 0.853286 F\n0.432862 0.432862 0.517194 F\n0.111314 0.111314 0.587216 F\n0.532286 0.532286 0.893292 F\n0.179085 0.850770 0.264781 F\n0.112473 0.112473 0.140909 F\n0.264893 0.604730 0.352530 F\n0.269284 0.591186 0.681199 F\n0.567654 0.567654 0.102526 F\n0.524326 0.849318 0.934960 F\n0.020174 0.680903 0.434103 F\n0.644469 0.993187 0.853286 F\n0.849318 0.524326 0.934960 F\n0.717035 0.717035 0.780519 F\n0.172350 0.172350 0.975668 F\n0.462052 0.127224 0.762918 F\n0.418790 0.863816 0.337214 F\n0.268353 0.715230 0.780502 F\n0.978370 0.978370 0.850636 F\n0.923539 0.593073 0.681641 F\n0.026833 0.586549 0.280304 F\n0.568932 0.238019 0.101877 F\n0.834950 0.278744 0.530947 F\n0.352286 0.681127 0.435135 F\n0.662789 0.113303 0.585976 F\n0.300823 0.852060 0.030183 F\n0.581734 0.581734 0.281586 F\n0.113303 0.662789 0.585976 F\n0.301210 0.301210 0.031487 F\n0.105070 0.429890 0.516816 F\n0.238019 0.568932 0.101877 F\n0.091621 0.769619 0.181593 F\n0.021652 0.351781 0.434422 F\n0.863816 0.418790 0.337214 F\n0.765229 0.423457 0.184119 F\n0.399761 0.845311 0.836022 F\n0.511729 0.849391 0.599093 F\n0.584827 0.584827 0.724549 F\n0.604730 0.264893 0.352530 F\n0.845311 0.399761 0.836022 F\n0.526346 0.184337 0.935729 F\n0.747397 0.747397 0.224067 F\n0.351781 0.021652 0.434422 F\n0.852060 0.300823 0.030183 F\n0.429890 0.105070 0.516816 F\n0.182926 0.857262 0.931989 F\n0.833288 0.833288 0.530706 F\n0.001688 0.001688 0.475536 F\n0.586549 0.026833 0.280304 F\n0.941572 0.941572 0.641023 F\n0.273051 0.273051 0.352687 F\n0.717049 0.040339 0.016228 F\n0.681127 0.352286 0.435135 F\n0.984311 0.984311 0.085012 F\n","nsites":112,"nelements":3,"elements":["K","Er","F"],"chemical_system":"Er-F-K","density":6.246351214815232,"density_atomic":0.0720562308849595,"volume":1554.341638807229,"volume_molar":8.357557266094831,"formula_full":"K8 Er24 F80","formula_reduced":"KEr3F10","formula_anonymous":"AB3C10","energy":-753.75974555,"energy_per_atom":-6.729997728125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-716.79974555,"band_gap":6.9978,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006572,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.784000Z","spacegroup":8},{"id":"mp-11653","created_at":"2022-09-04T14:48:13.731076Z","structure_string":"B3 P3 O12\n1.0\n2.273919 -3.938543 0.000000\n2.273919 3.938543 0.000000\n0.000000 0.000000 10.056017\nB P O\n3 3 12\ndirect\n0.470170 0.000000 0.333333 B\n0.000000 0.470170 0.666667 B\n0.529830 0.529830 0.000000 B\n0.469183 0.000000 0.833333 P\n0.530817 0.530817 0.500000 P\n0.000000 0.469183 0.166667 P\n0.736090 0.143943 0.721339 O\n0.274771 0.406020 0.107317 O\n0.593980 0.868751 0.440651 O\n0.407853 0.263910 0.388005 O\n0.143943 0.736090 0.278661 O\n0.856057 0.592147 0.054672 O\n0.263910 0.407853 0.611995 O\n0.592147 0.856057 0.945328 O\n0.868751 0.593980 0.559349 O\n0.406020 0.274771 0.892683 O\n0.725229 0.131249 0.226016 O\n0.131249 0.725229 0.773984 O\n","nsites":18,"nelements":3,"elements":["B","P","O"],"chemical_system":"B-O-P","density":2.925614069682694,"density_atomic":0.09993231051025801,"volume":180.12192361100574,"volume_molar":6.026219877485801,"formula_full":"B3 P3 O12","formula_reduced":"BPO4","formula_anonymous":"ABC4","energy":-144.71500879,"energy_per_atom":-8.039722710555557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.47100879,"band_gap":6.998399999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:36.677000Z","spacegroup":152},{"id":"mp-1110972","created_at":"2022-09-04T14:41:23.930953Z","structure_string":"Cs2 Li1 Pr1 F6\n1.0\n0.000000 4.555900 4.555900\n4.555900 0.000000 4.555900\n4.555900 4.555900 0.000000\nCs Li Pr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.745296 0.254704 0.254704 F\n0.254704 0.254704 0.745296 F\n0.254704 0.745296 0.745296 F\n0.254704 0.745296 0.254704 F\n0.745296 0.254704 0.745296 F\n0.745296 0.745296 0.254704 F\n","nsites":10,"nelements":4,"elements":["Cs","Li","Pr","F"],"chemical_system":"Cs-F-Li-Pr","density":4.632788493193209,"density_atomic":0.05287464390140168,"volume":189.12656922375803,"volume_molar":11.389468213213547,"formula_full":"Cs2 Li1 Pr1 F6","formula_reduced":"Cs2LiPrF6","formula_anonymous":"ABC2D6","energy":-55.08700775999999,"energy_per_atom":-5.5087007759999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.31500776,"band_gap":6.9993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005962,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.581000Z","spacegroup":225}]}