{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10143","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10141","results":[{"id":"mp-1019528","created_at":"2022-09-04T14:48:23.269876Z","structure_string":"Ba2 Mg1 B6 O12\n1.0\n6.050403 -3.574721 0.000000\n6.050403 3.574721 0.000000\n3.938373 0.000000 5.820242\nBa Mg B O\n2 1 6 12\ndirect\n0.790957 0.790957 0.790957 Ba\n0.209043 0.209043 0.209043 Ba\n0.000000 0.000000 0.000000 Mg\n0.635424 0.354991 0.244198 B\n0.354991 0.244198 0.635424 B\n0.244198 0.635424 0.354991 B\n0.364576 0.645009 0.755802 B\n0.645009 0.755802 0.364576 B\n0.755802 0.364576 0.645009 B\n0.086159 0.840818 0.310436 O\n0.840818 0.310436 0.086159 O\n0.310436 0.086159 0.840818 O\n0.913841 0.159182 0.689564 O\n0.159182 0.689564 0.913841 O\n0.689564 0.913841 0.159182 O\n0.465523 0.572864 0.196500 O\n0.572864 0.196500 0.465523 O\n0.196500 0.465523 0.572864 O\n0.534477 0.427136 0.803500 O\n0.427136 0.803500 0.534477 O\n0.803500 0.534477 0.427136 O\n","nsites":21,"nelements":4,"elements":["Ba","Mg","B","O"],"chemical_system":"B-Ba-Mg-O","density":3.6659290530380564,"density_atomic":0.08341070696281346,"volume":251.76623918752202,"volume_molar":7.21986538572898,"formula_full":"Ba2 Mg1 B6 O12","formula_reduced":"Ba2Mg(BO2)6","formula_anonymous":"AB2C6D12","energy":-169.01285136,"energy_per_atom":-8.048231017142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.76885136,"band_gap":4.9106000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:39:20.490000Z","spacegroup":148},{"id":"mp-9259","created_at":"2022-09-04T14:40:41.244980Z","structure_string":"Ba2 Mg1 B2 O6\n1.0\n5.846318 -2.703518 0.000000\n5.846318 2.703518 0.000000\n4.596128 0.000000 4.512655\nBa Mg B O\n2 1 2 6\ndirect\n0.776012 0.776012 0.776012 Ba\n0.223988 0.223988 0.223988 Ba\n0.000000 0.000000 0.000000 Mg\n0.409629 0.409629 0.409629 B\n0.590371 0.590371 0.590371 B\n0.740285 0.292561 0.740285 O\n0.740285 0.740285 0.292561 O\n0.292561 0.740285 0.740285 O\n0.707439 0.259715 0.259715 O\n0.259715 0.259715 0.707439 O\n0.259715 0.707439 0.259715 O\n","nsites":11,"nelements":4,"elements":["Ba","Mg","B","O"],"chemical_system":"B-Ba-Mg-O","density":4.849209807332789,"density_atomic":0.07711144783438702,"volume":142.65067391322756,"volume_molar":7.8096585255846955,"formula_full":"Ba2 Mg1 B2 O6","formula_reduced":"Ba2Mg(BO3)2","formula_anonymous":"AB2C2D6","energy":-82.91247125,"energy_per_atom":-7.537497386363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.79047125,"band_gap":4.4689,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.469000Z","spacegroup":166},{"id":"mp-1016576","created_at":"2022-09-04T14:46:23.407877Z","structure_string":"Ba1 Mg6 B1\n1.0\n2.958667 -7.368699 0.000000\n2.958667 7.368699 0.000000\n0.000000 0.000000 4.723426\nBa Mg B\n1 6 1\ndirect\n0.795563 0.204437 0.500000 Ba\n0.299951 0.190637 0.500000 Mg\n0.809363 0.700049 0.500000 Mg\n0.190608 0.344804 0.000000 Mg\n0.655196 0.809392 0.000000 Mg\n0.624583 0.375417 0.000000 Mg\n0.196625 0.803375 0.000000 Mg\n0.428115 0.571885 0.500000 B\n","nsites":8,"nelements":3,"elements":["Ba","Mg","B"],"chemical_system":"B-Ba-Mg","density":2.370146218715424,"density_atomic":0.038843286768134214,"volume":205.95579482637766,"volume_molar":15.503684834776577,"formula_full":"Ba1 Mg6 B1","formula_reduced":"BaMg6B","formula_anonymous":"ABC6","energy":-15.84588239,"energy_per_atom":-1.98073529875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.84588239,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001603,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.507000Z","spacegroup":38},{"id":"mp-1026509","created_at":"2022-09-04T14:40:01.787193Z","structure_string":"Ba1 Mg14 B1\n1.0\n6.464850 0.000000 0.000000\n-3.232425 5.598724 0.000000\n0.000000 0.000000 10.508374\nBa Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.179094 0.839547 0.125000 Mg\n0.154830 0.827415 0.625000 Mg\n0.660453 0.320906 0.125000 Mg\n0.672585 0.345170 0.625000 Mg\n0.660453 0.839547 0.125000 Mg\n0.672585 0.827415 0.625000 Mg\n0.330088 0.169912 0.403144 Mg\n0.330088 0.169912 0.846856 Mg\n0.330088 0.660177 0.403144 Mg\n0.330088 0.660177 0.846856 Mg\n0.839823 0.169912 0.403144 Mg\n0.839823 0.169912 0.846856 Mg\n0.833333 0.666667 0.364753 Mg\n0.833333 0.666667 0.885247 Mg\n0.166667 0.333333 0.625000 B\n","nsites":16,"nelements":3,"elements":["Ba","Mg","B"],"chemical_system":"B-Ba-Mg","density":2.1323025875120742,"density_atomic":0.04206655527132239,"volume":380.34966012316966,"volume_molar":14.31574494549929,"formula_full":"Ba1 Mg14 B1","formula_reduced":"BaMg14B","formula_anonymous":"ABC14","energy":-26.773987,"energy_per_atom":-1.6733741875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.773987,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.225000Z","spacegroup":187},{"id":"mp-1026603","created_at":"2022-09-04T14:42:09.695156Z","structure_string":"Ba1 Mg14 B1\n1.0\n6.674389 0.227920 0.000000\n-3.139810 5.438309 0.000000\n0.000000 0.000000 10.333118\nBa Mg B\n1 14 1\ndirect\n0.116791 0.308395 0.125000 Ba\n0.168981 0.334490 0.625000 Mg\n0.157371 0.828685 0.625000 Mg\n0.603183 0.289092 0.125000 Mg\n0.659961 0.336140 0.625000 Mg\n0.603183 0.814089 0.125000 Mg\n0.659961 0.823820 0.625000 Mg\n0.343435 0.162510 0.381613 Mg\n0.343435 0.162510 0.868387 Mg\n0.343435 0.680926 0.381613 Mg\n0.343435 0.680926 0.868387 Mg\n0.822297 0.161149 0.396729 Mg\n0.822297 0.161149 0.853271 Mg\n0.866120 0.683061 0.338656 Mg\n0.866120 0.683061 0.911344 Mg\n0.279996 0.889998 0.125000 B\n","nsites":16,"nelements":3,"elements":["Ba","Mg","B"],"chemical_system":"B-Ba-Mg","density":2.1205377647414116,"density_atomic":0.04183445614512997,"volume":382.45985425252366,"volume_molar":14.395169233486138,"formula_full":"Ba1 Mg14 B1","formula_reduced":"BaMg14B","formula_anonymous":"ABC14","energy":-27.85656233,"energy_per_atom":-1.741035145625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.85656233,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.723000Z","spacegroup":38},{"id":"mp-1016647","created_at":"2022-09-04T14:46:37.212439Z","structure_string":"Ba1 Mg6 B1\n1.0\n3.149559 -8.126582 0.000000\n3.149559 8.126582 0.000000\n0.000000 0.000000 3.960970\nBa Mg B\n1 6 1\ndirect\n0.224304 0.775696 0.000000 Ba\n0.187679 0.361674 0.000000 Mg\n0.638326 0.812321 0.000000 Mg\n0.647511 0.352489 0.000000 Mg\n0.290999 0.205248 0.500000 Mg\n0.794752 0.709001 0.500000 Mg\n0.807375 0.192625 0.500000 Mg\n0.409054 0.590946 0.500000 B\n","nsites":8,"nelements":3,"elements":["Ba","Mg","B"],"chemical_system":"B-Ba-Mg","density":2.407464745881098,"density_atomic":0.039454883740934615,"volume":202.76323845050302,"volume_molar":15.26335953627967,"formula_full":"Ba1 Mg6 B1","formula_reduced":"BaMg6B","formula_anonymous":"ABC6","energy":-15.95364828,"energy_per_atom":-1.994206035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.95364828,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008793,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.983000Z","spacegroup":38},{"id":"mp-14386","created_at":"2022-09-04T14:41:55.091116Z","structure_string":"Ba18 Lu6 B18 O54\n1.0\n4.724333 -8.182785 0.000000\n4.724333 8.182785 0.000000\n0.000000 0.000000 17.882475\nBa Lu B O\n18 6 18 54\ndirect\n0.682119 0.682119 0.871460 Ba\n0.000000 0.682119 0.371460 Ba\n0.682119 0.000000 0.371460 Ba\n0.317881 0.000000 0.871460 Ba\n0.000000 0.317881 0.871460 Ba\n0.317881 0.317881 0.371460 Ba\n0.652067 0.652067 0.629538 Ba\n0.000000 0.652067 0.129538 Ba\n0.652067 0.000000 0.129538 Ba\n0.347933 0.000000 0.629538 Ba\n0.000000 0.347933 0.629538 Ba\n0.347933 0.347933 0.129538 Ba\n0.333333 0.666667 0.277653 Ba\n0.666667 0.333333 0.777653 Ba\n0.333333 0.666667 0.777653 Ba\n0.666667 0.333333 0.277653 Ba\n0.000000 0.000000 0.717219 Ba\n0.000000 0.000000 0.217219 Ba\n0.333333 0.666667 0.997338 Lu\n0.666667 0.333333 0.497338 Lu\n0.333333 0.666667 0.497338 Lu\n0.666667 0.333333 0.997338 Lu\n0.000000 0.000000 0.503503 Lu\n0.000000 0.000000 0.003503 Lu\n0.660462 0.660462 0.423852 B\n0.000000 0.660462 0.923852 B\n0.660462 0.000000 0.923852 B\n0.339538 0.000000 0.423852 B\n0.000000 0.339538 0.423852 B\n0.339538 0.339538 0.923852 B\n0.667449 0.667449 0.249537 B\n0.000000 0.667449 0.749537 B\n0.667449 0.000000 0.749537 B\n0.332551 0.000000 0.249537 B\n0.000000 0.332551 0.249537 B\n0.332551 0.332551 0.749537 B\n0.673038 0.673038 0.071942 B\n0.000000 0.673038 0.571942 B\n0.673038 0.000000 0.571942 B\n0.326962 0.000000 0.071942 B\n0.000000 0.326962 0.071942 B\n0.326962 0.326962 0.571942 B\n0.807332 0.807332 0.433151 O\n0.000000 0.807332 0.933151 O\n0.807332 0.000000 0.933151 O\n0.192668 0.000000 0.433151 O\n0.000000 0.192668 0.433151 O\n0.192668 0.192668 0.933151 O\n0.661457 0.147634 0.918707 O\n0.852366 0.513823 0.918707 O\n0.486177 0.338543 0.918707 O\n0.513823 0.661457 0.418707 O\n0.338543 0.852366 0.418707 O\n0.147634 0.486177 0.418707 O\n0.661457 0.513823 0.418707 O\n0.147634 0.661457 0.918707 O\n0.513823 0.852366 0.918707 O\n0.486177 0.147634 0.418707 O\n0.852366 0.338543 0.418707 O\n0.338543 0.486177 0.918707 O\n0.519863 0.519863 0.249352 O\n0.000000 0.519863 0.749352 O\n0.519863 0.000000 0.749352 O\n0.480137 0.000000 0.249352 O\n0.000000 0.480137 0.249352 O\n0.480137 0.480137 0.749352 O\n0.814920 0.147587 0.749982 O\n0.852413 0.667333 0.749982 O\n0.332667 0.185080 0.749982 O\n0.667333 0.814920 0.249982 O\n0.185080 0.852413 0.249982 O\n0.147587 0.332667 0.249982 O\n0.814920 0.667333 0.249982 O\n0.147587 0.814920 0.749982 O\n0.667333 0.852413 0.749982 O\n0.332667 0.147587 0.249982 O\n0.852413 0.185080 0.249982 O\n0.185080 0.332667 0.749982 O\n0.673226 0.147103 0.567464 O\n0.852897 0.526123 0.567464 O\n0.473877 0.326774 0.567464 O\n0.526123 0.673226 0.067464 O\n0.326774 0.852897 0.067464 O\n0.147103 0.473877 0.067464 O\n0.673226 0.526123 0.067464 O\n0.147103 0.673226 0.567464 O\n0.526123 0.852897 0.567464 O\n0.473877 0.147103 0.067464 O\n0.852897 0.326774 0.067464 O\n0.326774 0.473877 0.567464 O\n0.819227 0.819227 0.081426 O\n0.000000 0.819227 0.581426 O\n0.819227 0.000000 0.581426 O\n0.180773 0.000000 0.081426 O\n0.000000 0.180773 0.081426 O\n0.180773 0.180773 0.581426 O\n","nsites":96,"nelements":4,"elements":["Ba","Lu","B","O"],"chemical_system":"B-Ba-Lu-O","density":5.500971030198057,"density_atomic":0.06943396539681511,"volume":1382.6086332727793,"volume_molar":8.673191464124892,"formula_full":"Ba18 Lu6 B18 O54","formula_reduced":"Ba3Lu(BO3)3","formula_anonymous":"AB3C3D9","energy":-767.90674883,"energy_per_atom":-7.999028633645833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-730.80874883,"band_gap":3.7102999999999993,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0880383,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.024000Z","spacegroup":185},{"id":"mp-561253","created_at":"2022-09-04T14:47:17.484355Z","structure_string":"Ba6 Lu2 B18 O36\n1.0\n3.629786 -6.286973 0.000000\n3.629786 6.286973 0.000000\n0.000000 0.000000 17.266347\nBa Lu B O\n6 2 18 36\ndirect\n0.333333 0.666667 0.869056 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.630944 Ba\n0.666667 0.333333 0.130944 Ba\n0.666667 0.333333 0.369056 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.448051 0.281100 0.580128 B\n0.377821 0.494811 0.250000 B\n0.883010 0.377821 0.750000 B\n0.281100 0.833049 0.419872 B\n0.833049 0.551949 0.919872 B\n0.718900 0.166951 0.919872 B\n0.718900 0.166951 0.580128 B\n0.622178 0.505189 0.750000 B\n0.166951 0.448051 0.080128 B\n0.505189 0.883010 0.250000 B\n0.551949 0.718900 0.419872 B\n0.494811 0.116990 0.750000 B\n0.116990 0.622178 0.250000 B\n0.448051 0.281100 0.919872 B\n0.166951 0.448051 0.419872 B\n0.281100 0.833049 0.080128 B\n0.551949 0.718900 0.080128 B\n0.833049 0.551949 0.580128 B\n0.494466 0.877998 0.080629 O\n0.877998 0.383532 0.580629 O\n0.494466 0.877998 0.419371 O\n0.247108 0.238977 0.921454 O\n0.587143 0.668190 0.750000 O\n0.616468 0.494466 0.919371 O\n0.505534 0.122002 0.580629 O\n0.991869 0.752892 0.578546 O\n0.122002 0.616468 0.419371 O\n0.331810 0.918953 0.750000 O\n0.752892 0.761023 0.078546 O\n0.008131 0.247108 0.078546 O\n0.542232 0.708966 0.250000 O\n0.291034 0.833265 0.250000 O\n0.081047 0.412857 0.750000 O\n0.877998 0.383532 0.919371 O\n0.761023 0.008131 0.578546 O\n0.918953 0.587143 0.250000 O\n0.383532 0.505534 0.080629 O\n0.122002 0.616468 0.080629 O\n0.166735 0.457768 0.250000 O\n0.238977 0.991869 0.078546 O\n0.761023 0.008131 0.921454 O\n0.991869 0.752892 0.921454 O\n0.008131 0.247108 0.421454 O\n0.457768 0.291034 0.750000 O\n0.668190 0.081047 0.250000 O\n0.833265 0.542232 0.750000 O\n0.505534 0.122002 0.919371 O\n0.616468 0.494466 0.580629 O\n0.752892 0.761023 0.421454 O\n0.247108 0.238977 0.578546 O\n0.238977 0.991869 0.421454 O\n0.708966 0.166735 0.750000 O\n0.383532 0.505534 0.419371 O\n0.412857 0.331810 0.250000 O\n","nsites":62,"nelements":4,"elements":["Ba","Lu","B","O"],"chemical_system":"B-Ba-Lu-O","density":4.097300378301341,"density_atomic":0.07867533715597365,"volume":788.0487359982349,"volume_molar":7.654420022453951,"formula_full":"Ba6 Lu2 B18 O36","formula_reduced":"Ba3Lu(BO2)9","formula_anonymous":"AB3C9D18","energy":-513.63481208,"energy_per_atom":-8.284432452903225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-488.90281208,"band_gap":5.118399999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001532,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.635000Z","spacegroup":176},{"id":"mp-557892","created_at":"2022-09-04T14:48:29.596178Z","structure_string":"Ba2 Li2 B6 S12\n1.0\n4.463776 7.652793 0.000000\n-4.463776 7.652793 0.000000\n0.000000 3.930451 7.457329\nBa Li B S\n2 2 6 12\ndirect\n0.381196 0.137187 0.974967 Ba\n0.137187 0.381196 0.474967 Ba\n0.703676 0.498890 0.931140 Li\n0.498890 0.703676 0.431140 Li\n0.756256 0.842758 0.546936 B\n0.842758 0.756256 0.046936 B\n0.015904 0.020561 0.449408 B\n0.020561 0.015904 0.949408 B\n0.613887 0.244902 0.523017 B\n0.244902 0.613887 0.023017 B\n0.436635 0.420904 0.080374 S\n0.838191 0.245112 0.439937 S\n0.813177 0.986577 0.005772 S\n0.055338 0.560694 0.061403 S\n0.721458 0.647878 0.585315 S\n0.420904 0.436635 0.580374 S\n0.560694 0.055338 0.561403 S\n0.986577 0.813177 0.505772 S\n0.237493 0.006526 0.405232 S\n0.006526 0.237493 0.905232 S\n0.647878 0.721458 0.085315 S\n0.245112 0.838191 0.939937 S\n","nsites":22,"nelements":4,"elements":["Ba","Li","B","S"],"chemical_system":"B-Ba-Li-S","density":2.4058962219700804,"density_atomic":0.043180435931597615,"volume":509.48999298780427,"volume_molar":13.946456607199867,"formula_full":"Ba2 Li2 B6 S12","formula_reduced":"BaLi(BS2)3","formula_anonymous":"ABC3D6","energy":-123.74464046,"energy_per_atom":-5.624756384545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.70864046,"band_gap":2.7298,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007024,"is_theoretical":false,"updated_at":"2021-11-28T01:39:40.464000Z","spacegroup":9},{"id":"mp-554076","created_at":"2022-09-04T14:44:58.966910Z","structure_string":"Ba4 Li4 B4 S12\n1.0\n8.775224 0.000000 0.000000\n0.000000 7.663843 0.000000\n0.000000 3.903826 7.878071\nBa Li B S\n4 4 4 12\ndirect\n0.131467 0.686340 0.688312 Ba\n0.368533 0.686340 0.188312 Ba\n0.868533 0.313660 0.311688 Ba\n0.631467 0.313660 0.811688 Ba\n0.074031 0.111859 0.795420 Li\n0.574031 0.888141 0.704580 Li\n0.425969 0.111859 0.295420 Li\n0.925969 0.888141 0.204580 Li\n0.840970 0.771000 0.920370 B\n0.659030 0.771000 0.420370 B\n0.340970 0.229000 0.579630 B\n0.159030 0.229000 0.079630 B\n0.172478 0.382774 0.509219 S\n0.843393 0.985051 0.712189 S\n0.156607 0.014949 0.287811 S\n0.827522 0.617226 0.490781 S\n0.343393 0.014949 0.787811 S\n0.984799 0.285656 0.953873 S\n0.015201 0.714344 0.046127 S\n0.515201 0.285656 0.453873 S\n0.327522 0.382774 0.009219 S\n0.484799 0.714344 0.546127 S\n0.672478 0.617226 0.990781 S\n0.656607 0.985051 0.212189 S\n","nsites":24,"nelements":4,"elements":["Ba","Li","B","S"],"chemical_system":"B-Ba-Li-S","density":3.15015512852314,"density_atomic":0.04529878365375989,"volume":529.8155505331754,"volume_molar":13.294265925615315,"formula_full":"Ba4 Li4 B4 S12","formula_reduced":"BaLiBS3","formula_anonymous":"ABCD3","energy":-128.48004681,"energy_per_atom":-5.35333528375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.44404681,"band_gap":2.1531,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005378,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.109000Z","spacegroup":14},{"id":"mp-6499","created_at":"2022-09-04T14:41:54.479627Z","structure_string":"Ba4 Li4 B4 O12\n1.0\n7.195157 0.000000 0.000000\n0.000000 6.591124 0.000000\n0.000000 3.601211 6.666927\nBa Li B O\n4 4 4 12\ndirect\n0.360454 0.824923 0.339831 Ba\n0.860454 0.175077 0.160169 Ba\n0.639546 0.175077 0.660169 Ba\n0.139546 0.824923 0.839831 Ba\n0.427014 0.404811 0.196796 Li\n0.927014 0.595189 0.303204 Li\n0.572986 0.595189 0.803204 Li\n0.072986 0.404811 0.696796 Li\n0.661475 0.712471 0.081536 B\n0.161475 0.287529 0.418464 B\n0.338525 0.287529 0.918464 B\n0.838525 0.712471 0.581536 B\n0.184340 0.143722 0.977251 O\n0.159652 0.483229 0.228999 O\n0.840348 0.516771 0.771001 O\n0.340348 0.483229 0.728999 O\n0.005647 0.242693 0.540414 O\n0.505647 0.757307 0.959586 O\n0.994353 0.757307 0.459586 O\n0.494353 0.242693 0.040414 O\n0.815660 0.856278 0.022749 O\n0.315660 0.143722 0.477251 O\n0.659652 0.516771 0.271001 O\n0.684340 0.856278 0.522749 O\n","nsites":24,"nelements":4,"elements":["Ba","Li","B","O"],"chemical_system":"B-Ba-Li-O","density":4.266235240517525,"density_atomic":0.07590769168340182,"volume":316.17349266922713,"volume_molar":7.933505322645473,"formula_full":"Ba4 Li4 B4 O12","formula_reduced":"BaLiBO3","formula_anonymous":"ABCD3","energy":-172.41731107,"energy_per_atom":-7.184054627916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.17331107,"band_gap":4.1341,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012715,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.115000Z","spacegroup":14},{"id":"mp-1183402","created_at":"2022-09-04T14:47:21.136101Z","structure_string":"Ba2 Li2 B18 O30\n1.0\n6.526649 -5.541028 0.000000\n6.526649 5.541028 0.000000\n1.822398 0.000000 8.365345\nBa Li B O\n2 2 18 30\ndirect\n0.985612 0.985612 0.985612 Ba\n0.485612 0.485612 0.485612 Ba\n0.205749 0.205749 0.205749 Li\n0.705749 0.705749 0.705749 Li\n0.081691 0.614941 0.739314 B\n0.614941 0.739314 0.081691 B\n0.739314 0.081691 0.614941 B\n0.114941 0.581691 0.239314 B\n0.239314 0.114941 0.581691 B\n0.581691 0.239314 0.114941 B\n0.174126 0.323123 0.763003 B\n0.323123 0.763003 0.174126 B\n0.763003 0.174126 0.323123 B\n0.823123 0.674126 0.263003 B\n0.263003 0.823123 0.674126 B\n0.674126 0.263003 0.823123 B\n0.890841 0.428451 0.752468 B\n0.428451 0.752468 0.890841 B\n0.752468 0.890841 0.428450 B\n0.928451 0.390841 0.252468 B\n0.252468 0.928451 0.390841 B\n0.390841 0.252468 0.928451 B\n0.238429 0.238264 0.911025 O\n0.238264 0.911025 0.238429 O\n0.911025 0.238429 0.238264 O\n0.738264 0.738429 0.411025 O\n0.411025 0.738264 0.738429 O\n0.738429 0.411025 0.738264 O\n0.202438 0.490772 0.740925 O\n0.490772 0.740925 0.202438 O\n0.740925 0.202438 0.490772 O\n0.990772 0.702438 0.240925 O\n0.240925 0.990772 0.702438 O\n0.702438 0.240925 0.990772 O\n0.246531 0.266029 0.607758 O\n0.266029 0.607758 0.246531 O\n0.607758 0.246531 0.266029 O\n0.766029 0.746531 0.107758 O\n0.107758 0.766029 0.746531 O\n0.746531 0.107758 0.766029 O\n0.003916 0.303056 0.790062 O\n0.303056 0.790062 0.003916 O\n0.790062 0.003916 0.303056 O\n0.803056 0.503916 0.290062 O\n0.290062 0.803056 0.503916 O\n0.503916 0.290062 0.803056 O\n0.925443 0.587094 0.729940 O\n0.587094 0.729940 0.925443 O\n0.729940 0.925443 0.587094 O\n0.087094 0.425443 0.229940 O\n0.229940 0.087094 0.425443 O\n0.425443 0.229940 0.087094 O\n","nsites":52,"nelements":4,"elements":["Ba","Li","B","O"],"chemical_system":"B-Ba-Li-O","density":2.6432195691357783,"density_atomic":0.08594267940123514,"volume":605.0544428249775,"volume_molar":7.007159657991129,"formula_full":"Ba2 Li2 B18 O30","formula_reduced":"BaLi(B3O5)3","formula_anonymous":"ABC9D15","energy":-429.14240502000007,"energy_per_atom":-8.252738558076924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.53240502,"band_gap":5.8511,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0062098,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.077000Z","spacegroup":161}]}