{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=37","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=35","results":[{"id":"mp-779763","created_at":"2022-09-04T14:39:32.285232Z","structure_string":"Tb8 Ti8 O28\n1.0\n5.380842 0.000000 0.000000\n0.000000 7.549961 0.000000\n0.000000 1.926946 13.107711\nTb Ti O\n8 8 28\ndirect\n0.224716 0.352490 0.115623 Tb\n0.763695 0.284002 0.368049 Tb\n0.145418 0.856365 0.063526 Tb\n0.724716 0.647510 0.884377 Tb\n0.743033 0.764284 0.425253 Tb\n0.263695 0.715998 0.631951 Tb\n0.243033 0.235716 0.574747 Tb\n0.645418 0.143635 0.936474 Tb\n0.209203 0.411365 0.829236 Ti\n0.744384 0.470014 0.628403 Ti\n0.743139 0.969541 0.623257 Ti\n0.244384 0.529986 0.371597 Ti\n0.709203 0.588635 0.170764 Ti\n0.220514 0.931334 0.821426 Ti\n0.243139 0.030459 0.376743 Ti\n0.720514 0.068666 0.178574 Ti\n0.976315 0.057302 0.475562 O\n0.057093 0.126939 0.267917 O\n0.559716 0.513243 0.737728 O\n0.080389 0.423084 0.678858 O\n0.415704 0.411972 0.947268 O\n0.630484 0.326147 0.195028 O\n0.910824 0.366411 0.884634 O\n0.356928 0.272666 0.409142 O\n0.481397 0.545066 0.529213 O\n0.059716 0.486757 0.262272 O\n0.981397 0.454934 0.470787 O\n0.915704 0.588028 0.052732 O\n0.438084 0.861942 0.931079 O\n0.130484 0.673853 0.804972 O\n0.856928 0.727334 0.590858 O\n0.828513 0.826663 0.184526 O\n0.168085 0.778392 0.383341 O\n0.943439 0.926705 0.907381 O\n0.410824 0.633589 0.115366 O\n0.077877 0.990465 0.680251 O\n0.580389 0.576916 0.321142 O\n0.476315 0.942698 0.524438 O\n0.557093 0.873061 0.732083 O\n0.668085 0.221608 0.616659 O\n0.938084 0.138058 0.068921 O\n0.328513 0.173337 0.815474 O\n0.443439 0.073295 0.092619 O\n0.577877 0.009535 0.319749 O\n","nsites":44,"nelements":3,"elements":["Tb","Ti","O"],"chemical_system":"O-Tb-Ti","density":6.555812544702538,"density_atomic":0.08262869065617451,"volume":532.5026894482451,"volume_molar":7.288195797581587,"formula_full":"Tb8 Ti8 O28","formula_reduced":"Tb2Ti2O7","formula_anonymous":"A2B2C7","energy":-405.3744064,"energy_per_atom":-9.213054690909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.1384064,"band_gap":2.7644,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005053,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.999000Z","spacegroup":4},{"id":"mp-1205158","created_at":"2022-09-04T14:39:32.300566Z","structure_string":"V12 Bi24 O60\n1.0\n5.455859 0.000000 0.000000\n0.000000 15.603102 0.000000\n0.000000 0.000000 16.546087\nV Bi O\n12 24 60\ndirect\n0.240934 0.015128 0.750000 V\n0.740934 0.484872 0.750000 V\n0.759066 0.984872 0.250000 V\n0.259066 0.515128 0.250000 V\n0.751744 0.999438 0.917913 V\n0.251744 0.500562 0.582087 V\n0.248256 0.000562 0.417913 V\n0.748256 0.499438 0.082087 V\n0.248256 0.000562 0.082087 V\n0.748256 0.499438 0.417913 V\n0.751744 0.999438 0.582087 V\n0.251744 0.500562 0.917913 V\n0.745431 0.140127 0.750000 Bi\n0.245431 0.359873 0.750000 Bi\n0.254569 0.859873 0.250000 Bi\n0.754569 0.640127 0.250000 Bi\n0.746813 0.836456 0.750000 Bi\n0.246813 0.663544 0.750000 Bi\n0.253187 0.163544 0.250000 Bi\n0.753187 0.336456 0.250000 Bi\n0.236418 0.827420 0.910481 Bi\n0.736418 0.672580 0.589519 Bi\n0.763582 0.172580 0.410481 Bi\n0.263582 0.327420 0.089519 Bi\n0.763582 0.172580 0.089519 Bi\n0.263582 0.327420 0.410481 Bi\n0.236418 0.827420 0.589519 Bi\n0.736418 0.672580 0.910481 Bi\n0.264545 0.168066 0.915048 Bi\n0.764545 0.331934 0.584952 Bi\n0.735455 0.831934 0.415048 Bi\n0.235455 0.668066 0.084952 Bi\n0.735455 0.831934 0.084952 Bi\n0.235455 0.668066 0.415048 Bi\n0.264545 0.168066 0.584952 Bi\n0.764545 0.331934 0.915048 Bi\n0.219357 0.904808 0.750000 O\n0.719357 0.595192 0.750000 O\n0.780643 0.095192 0.250000 O\n0.280643 0.404808 0.250000 O\n0.762005 0.895295 0.886233 O\n0.262005 0.604705 0.613767 O\n0.237995 0.104705 0.386233 O\n0.737995 0.395295 0.113767 O\n0.237995 0.104705 0.113767 O\n0.737995 0.395295 0.386233 O\n0.762005 0.895295 0.613767 O\n0.262005 0.604705 0.886233 O\n0.496995 0.052128 0.830797 O\n0.996995 0.447872 0.669203 O\n0.503005 0.947872 0.330797 O\n0.003005 0.552128 0.169203 O\n0.503005 0.947872 0.169203 O\n0.003005 0.552128 0.330797 O\n0.496995 0.052128 0.669203 O\n0.996995 0.447872 0.830797 O\n0.999868 0.054974 0.834528 O\n0.499868 0.445026 0.665472 O\n0.000132 0.945026 0.334528 O\n0.500132 0.554974 0.165472 O\n0.000132 0.945026 0.165472 O\n0.500132 0.554974 0.334528 O\n0.999868 0.054974 0.665472 O\n0.499868 0.445026 0.834528 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.001157 0.748059 0.989480 O\n0.501157 0.751941 0.510520 O\n0.998843 0.251941 0.489480 O\n0.498843 0.248059 0.010520 O\n0.998843 0.251941 0.010520 O\n0.498843 0.248059 0.489480 O\n0.001157 0.748059 0.510520 O\n0.501157 0.751941 0.989480 O\n0.056544 0.265731 0.847781 O\n0.556544 0.234269 0.652219 O\n0.943456 0.734269 0.347781 O\n0.443456 0.765731 0.152219 O\n0.943456 0.734269 0.152219 O\n0.443456 0.765731 0.347781 O\n0.056544 0.265731 0.652219 O\n0.556544 0.234269 0.847781 O\n0.989409 0.749162 0.828465 O\n0.489409 0.750838 0.671535 O\n0.010591 0.250838 0.328465 O\n0.510591 0.249162 0.171535 O\n0.010591 0.250838 0.171535 O\n0.510591 0.249162 0.328465 O\n0.989409 0.749162 0.671535 O\n0.489409 0.750838 0.828465 O\n","nsites":96,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":7.765217620816504,"density_atomic":0.06815564685289222,"volume":1408.5406629212587,"volume_molar":8.835864727391181,"formula_full":"V12 Bi24 O60","formula_reduced":"VBi2O5","formula_anonymous":"AB2C5","energy":-680.38784424,"energy_per_atom":-7.0873733775000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-618.76784424,"band_gap":0.6997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.1633877,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.779000Z","spacegroup":62},{"id":"mp-1034199","created_at":"2022-09-04T14:39:24.102310Z","structure_string":"Rb1 Mg14 Cr1 O16\n1.0\n8.713192 0.000000 0.000000\n0.000000 8.713192 0.000000\n0.000000 0.000000 4.394937\nRb Mg Cr O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.258047 0.500000 Mg\n0.000000 0.741953 0.500000 Mg\n0.500000 0.249057 0.500000 Mg\n0.500000 0.750943 0.500000 Mg\n0.258047 0.000000 0.500000 Mg\n0.249057 0.500000 0.500000 Mg\n0.741953 0.000000 0.500000 Mg\n0.750943 0.500000 0.500000 Mg\n0.250616 0.250616 0.000000 Mg\n0.250616 0.749384 0.000000 Mg\n0.749384 0.250616 0.000000 Mg\n0.749384 0.749384 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.280658 0.000000 0.000000 O\n0.261916 0.500000 0.000000 O\n0.719342 0.000000 0.000000 O\n0.738084 0.500000 0.000000 O\n0.250760 0.250760 0.500000 O\n0.250760 0.749240 0.500000 O\n0.749240 0.250760 0.500000 O\n0.749240 0.749240 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.280658 0.000000 O\n0.000000 0.719342 0.000000 O\n0.500000 0.261916 0.000000 O\n0.500000 0.738084 0.000000 O\n","nsites":32,"nelements":4,"elements":["Rb","Mg","Cr","O"],"chemical_system":"Cr-Mg-O-Rb","density":3.6515292004783797,"density_atomic":0.09590533269079013,"volume":333.66236373082296,"volume_molar":6.27925537719167,"formula_full":"Rb1 Mg14 Cr1 O16","formula_reduced":"RbMg14CrO16","formula_anonymous":"ABC14D16","energy":-199.9502441,"energy_per_atom":-6.248445128125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.9592441,"band_gap":3.6165,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.6666664,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.039000Z","spacegroup":123},{"id":"mp-1188418","created_at":"2022-09-04T14:39:32.325375Z","structure_string":"Mg1 V2 Cu2 O12\n1.0\n0.000000 -5.536229 0.000000\n-5.881838 2.768114 1.151159\n0.941962 0.000000 -7.450274\nMg V Cu O\n1 2 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.498080 0.996161 0.261654 V\n0.501920 0.003839 0.738346 V\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.852942 0.705884 0.093304 O\n0.147058 0.294116 0.906696 O\n0.831970 0.144456 0.240513 O\n0.312486 0.144456 0.240513 O\n0.168030 0.855544 0.759487 O\n0.687514 0.855544 0.759487 O\n0.669241 0.338483 0.844503 O\n0.330759 0.661517 0.155497 O\n0.500000 0.000000 0.000000 O\n0.844180 0.688361 0.438300 O\n0.155820 0.311639 0.561700 O\n","nsites":17,"nelements":4,"elements":["Mg","V","Cu","O"],"chemical_system":"Cu-Mg-O-V","density":3.1250547136193174,"density_atomic":0.07185074618718029,"volume":236.60157899700647,"volume_molar":8.38145889857784,"formula_full":"Mg1 V2 Cu2 O12","formula_reduced":"MgV2(CuO6)2","formula_anonymous":"AB2C2D12","energy":-107.21654035,"energy_per_atom":-6.306855314705882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.57254035,"band_gap":0.0475,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.880000Z","spacegroup":12},{"id":"mp-1246829","created_at":"2022-09-04T14:39:24.599034Z","structure_string":"Zn28 Sn4 N24\n1.0\n10.848300 0.000000 0.000000\n0.000000 6.035762 0.000000\n0.000000 0.000000 12.475794\nZn Sn N\n28 4 24\ndirect\n0.964989 0.766632 0.041589 Zn\n0.535011 0.733368 0.541589 Zn\n0.464989 0.733368 0.958411 Zn\n0.035011 0.766632 0.458411 Zn\n0.035011 0.233368 0.958411 Zn\n0.464989 0.266632 0.458411 Zn\n0.535011 0.266632 0.041589 Zn\n0.964989 0.233368 0.541589 Zn\n0.242520 0.652126 0.653472 Zn\n0.257480 0.847874 0.153472 Zn\n0.742520 0.847874 0.346528 Zn\n0.757480 0.652126 0.846528 Zn\n0.757480 0.347874 0.346528 Zn\n0.742520 0.152126 0.846528 Zn\n0.257480 0.152126 0.653472 Zn\n0.242520 0.347874 0.153472 Zn\n0.207280 0.635567 0.925964 Zn\n0.292720 0.864433 0.425964 Zn\n0.707280 0.864433 0.074036 Zn\n0.792720 0.635567 0.574036 Zn\n0.792720 0.364433 0.074036 Zn\n0.707280 0.135567 0.574036 Zn\n0.292720 0.135567 0.925964 Zn\n0.207280 0.364433 0.425964 Zn\n0.000000 0.409581 0.750000 Zn\n0.500000 0.090419 0.250000 Zn\n0.000000 0.590419 0.250000 Zn\n0.500000 0.909581 0.750000 Zn\n0.000000 0.898737 0.750000 Sn\n0.500000 0.601263 0.250000 Sn\n0.000000 0.101263 0.250000 Sn\n0.500000 0.398738 0.750000 Sn\n0.133123 0.655450 0.781764 N\n0.366877 0.844550 0.281764 N\n0.633123 0.844550 0.218236 N\n0.866877 0.655450 0.718236 N\n0.866877 0.344550 0.218236 N\n0.633123 0.155450 0.718236 N\n0.366877 0.155450 0.781764 N\n0.133123 0.344550 0.281764 N\n0.183466 0.649416 0.504326 N\n0.316534 0.850584 0.004326 N\n0.683466 0.850584 0.495674 N\n0.816534 0.649416 0.995674 N\n0.816534 0.350584 0.495674 N\n0.683466 0.149416 0.995674 N\n0.316534 0.149416 0.504326 N\n0.183466 0.350584 0.004326 N\n0.427093 0.649456 0.650755 N\n0.072907 0.850544 0.150755 N\n0.927093 0.850544 0.349245 N\n0.572907 0.649456 0.849245 N\n0.572907 0.350544 0.349245 N\n0.927093 0.149456 0.849245 N\n0.072907 0.149456 0.650755 N\n0.427093 0.350544 0.150755 N\n","nsites":56,"nelements":3,"elements":["Zn","Sn","N"],"chemical_system":"N-Sn-Zn","density":5.371484758515445,"density_atomic":0.06855293270557516,"volume":816.8870067238673,"volume_molar":8.784658106261064,"formula_full":"Zn28 Sn4 N24","formula_reduced":"Zn7SnN6","formula_anonymous":"AB6C7","energy":-250.33638384,"energy_per_atom":-4.470292568571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.67238384000004,"band_gap":1.0444,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012436,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.529000Z","spacegroup":60},{"id":"mp-1199795","created_at":"2022-09-04T14:39:25.151844Z","structure_string":"B32 P8 H156 Rh4 C52\n1.0\n0.000000 -10.285745 0.000000\n-14.610895 0.000000 7.929210\n-0.042574 0.000000 -17.173058\nB P H Rh C\n32 8 156 4 52\ndirect\n0.713309 0.400569 0.581044 B\n0.786691 0.900569 0.081044 B\n0.286691 0.599431 0.418956 B\n0.213309 0.099431 0.918956 B\n0.711867 0.544556 0.655101 B\n0.788133 0.044556 0.155101 B\n0.288133 0.455444 0.344899 B\n0.211867 0.955444 0.844899 B\n0.538854 0.532645 0.664610 B\n0.961146 0.032645 0.164610 B\n0.461146 0.467355 0.335390 B\n0.038854 0.967355 0.835390 B\n0.540240 0.408838 0.601206 B\n0.959760 0.908838 0.101206 B\n0.459760 0.591162 0.398794 B\n0.040240 0.091162 0.898794 B\n0.646374 0.557901 0.754772 B\n0.853626 0.057901 0.254772 B\n0.353626 0.442099 0.245228 B\n0.146374 0.942099 0.745228 B\n0.529813 0.464281 0.719466 B\n0.970187 0.964281 0.219466 B\n0.470187 0.535719 0.280534 B\n0.029813 0.035719 0.780534 B\n0.647838 0.373777 0.660493 B\n0.852162 0.873777 0.160493 B\n0.352162 0.626223 0.339507 B\n0.147838 0.126223 0.839507 B\n0.671097 0.461463 0.770308 B\n0.828903 0.961463 0.270308 B\n0.328903 0.538537 0.229692 B\n0.171097 0.038537 0.729692 B\n0.973048 0.589951 0.800052 P\n0.526952 0.089951 0.300052 P\n0.026952 0.410049 0.199948 P\n0.473048 0.910049 0.699948 P\n0.976029 0.338959 0.660919 P\n0.523971 0.838959 0.160919 P\n0.023971 0.661041 0.339081 P\n0.476029 0.161041 0.839081 P\n0.607461 0.479747 0.513762 H\n0.892539 0.979747 0.013762 H\n0.392539 0.520253 0.486238 H\n0.107461 0.020253 0.986238 H\n0.770900 0.348743 0.515559 H\n0.729100 0.848743 0.015559 H\n0.229100 0.651257 0.484441 H\n0.270900 0.151257 0.984441 H\n0.768806 0.602494 0.646100 H\n0.731194 0.102494 0.146100 H\n0.231194 0.397506 0.353900 H\n0.268806 0.897506 0.853900 H\n0.453179 0.582752 0.667598 H\n0.046821 0.082752 0.167598 H\n0.546821 0.417248 0.332402 H\n0.953179 0.917248 0.832402 H\n0.455698 0.361025 0.554079 H\n0.044302 0.861025 0.054079 H\n0.544302 0.638975 0.445921 H\n0.955698 0.138975 0.945921 H\n0.642999 0.630665 0.820719 H\n0.857001 0.130665 0.320719 H\n0.357001 0.369335 0.179281 H\n0.142999 0.869335 0.679281 H\n0.432474 0.460754 0.756678 H\n0.067526 0.960754 0.256678 H\n0.567526 0.539246 0.243322 H\n0.932474 0.039246 0.743322 H\n0.645980 0.297191 0.650533 H\n0.854020 0.797191 0.150533 H\n0.354020 0.702809 0.349467 H\n0.145980 0.202809 0.849467 H\n0.685800 0.456745 0.837506 H\n0.814200 0.956745 0.337506 H\n0.314200 0.543255 0.162494 H\n0.185800 0.043255 0.662494 H\n0.862801 0.706286 0.780591 H\n0.637199 0.206286 0.280591 H\n0.137199 0.293714 0.219409 H\n0.362801 0.793714 0.719409 H\n0.009195 0.748008 0.840482 H\n0.490805 0.248008 0.340482 H\n0.990805 0.251992 0.159518 H\n0.509195 0.751992 0.659518 H\n0.139630 0.665240 0.699077 H\n0.360370 0.165240 0.199077 H\n0.860370 0.334760 0.300923 H\n0.639630 0.834760 0.800923 H\n0.024417 0.739232 0.690070 H\n0.475583 0.239232 0.190070 H\n0.975583 0.260768 0.309930 H\n0.524417 0.760768 0.809930 H\n0.993952 0.619656 0.638311 H\n0.506048 0.119656 0.138311 H\n0.006048 0.380344 0.361689 H\n0.493952 0.880344 0.861689 H\n0.162582 0.520167 0.825483 H\n0.337418 0.020167 0.325483 H\n0.837418 0.479833 0.174517 H\n0.662582 0.979833 0.674517 H\n0.190338 0.549890 0.741450 H\n0.309662 0.049890 0.241450 H\n0.809662 0.450110 0.258550 H\n0.690338 0.950110 0.758550 H\n0.221987 0.715881 0.856287 H\n0.278013 0.215881 0.356287 H\n0.778013 0.284119 0.143713 H\n0.721987 0.784119 0.643713 H\n0.330347 0.641747 0.871319 H\n0.169653 0.141747 0.371319 H\n0.669653 0.358253 0.128681 H\n0.830347 0.858253 0.628681 H\n0.193170 0.686962 0.941735 H\n0.306830 0.186962 0.441735 H\n0.806830 0.313038 0.058265 H\n0.693170 0.813038 0.558265 H\n0.969545 0.704086 0.953717 H\n0.530455 0.204086 0.453717 H\n0.030455 0.295914 0.046283 H\n0.469545 0.795914 0.546283 H\n0.814741 0.655393 0.915929 H\n0.685259 0.155393 0.415929 H\n0.185259 0.344607 0.084071 H\n0.314741 0.844607 0.584071 H\n0.888373 0.510731 0.919776 H\n0.611627 0.010731 0.419776 H\n0.111627 0.489269 0.080224 H\n0.388373 0.989269 0.580224 H\n0.898947 0.608997 0.025295 H\n0.601053 0.108997 0.525295 H\n0.101053 0.391003 0.974705 H\n0.398947 0.891003 0.474705 H\n0.041665 0.562825 0.962232 H\n0.458335 0.062825 0.462232 H\n0.958335 0.437175 0.037768 H\n0.541665 0.937175 0.537768 H\n0.195666 0.396098 0.677477 H\n0.304334 0.896098 0.177477 H\n0.804334 0.603902 0.322523 H\n0.695666 0.103902 0.822523 H\n0.183588 0.283561 0.590265 H\n0.316412 0.783561 0.090265 H\n0.816412 0.716439 0.409735 H\n0.683588 0.216439 0.909735 H\n0.069329 0.343178 0.495373 H\n0.430671 0.843178 0.995373 H\n0.930671 0.656822 0.504627 H\n0.569329 0.156822 0.004627 H\n0.225195 0.393290 0.530334 H\n0.274805 0.893290 0.030334 H\n0.774805 0.606710 0.469666 H\n0.725195 0.106710 0.969666 H\n0.082967 0.455962 0.583629 H\n0.417033 0.955962 0.083629 H\n0.917033 0.544038 0.416371 H\n0.582967 0.044038 0.916371 H\n0.816927 0.221146 0.583253 H\n0.683073 0.721146 0.083253 H\n0.183073 0.778854 0.416747 H\n0.316927 0.278854 0.916747 H\n0.918786 0.238281 0.510763 H\n0.581214 0.738281 0.010763 H\n0.081214 0.761719 0.489237 H\n0.418786 0.261719 0.989237 H\n0.101557 0.150169 0.542376 H\n0.398443 0.650169 0.042376 H\n0.898443 0.849831 0.457624 H\n0.601557 0.349831 0.957624 H\n0.961300 0.084781 0.492147 H\n0.538700 0.584781 0.992147 H\n0.038700 0.915219 0.507853 H\n0.461300 0.415219 0.007853 H\n0.989208 0.126298 0.606854 H\n0.510792 0.626298 0.106854 H\n0.010792 0.873702 0.393146 H\n0.489208 0.373702 0.893146 H\n0.090328 0.256605 0.723767 H\n0.409672 0.756605 0.223767 H\n0.909672 0.743395 0.276233 H\n0.590328 0.243395 0.776233 H\n0.064922 0.372306 0.802467 H\n0.435078 0.872306 0.302467 H\n0.935078 0.627694 0.197533 H\n0.564922 0.127694 0.697533 H\n0.827088 0.338040 0.814282 H\n0.672912 0.838040 0.314282 H\n0.172912 0.661960 0.185718 H\n0.327088 0.161960 0.685718 H\n0.931919 0.267389 0.839085 H\n0.568081 0.767389 0.339085 H\n0.068081 0.732611 0.160915 H\n0.431919 0.232611 0.660915 H\n0.852752 0.222070 0.735405 H\n0.647248 0.722070 0.235405 H\n0.147248 0.777930 0.264595 H\n0.352752 0.277930 0.764595 H\n0.832427 0.465568 0.703791 Rh\n0.667573 0.965568 0.203791 Rh\n0.167573 0.534432 0.296209 Rh\n0.332427 0.034432 0.796209 Rh\n0.621964 0.475486 0.574514 C\n0.878036 0.975486 0.074514 C\n0.378036 0.524514 0.425486 C\n0.121964 0.024514 0.925486 C\n0.966338 0.690471 0.781690 C\n0.533662 0.190471 0.281690 C\n0.033662 0.309529 0.218310 C\n0.466338 0.809529 0.718310 C\n0.034906 0.677480 0.697502 C\n0.465094 0.177480 0.197502 C\n0.965094 0.322520 0.302498 C\n0.534906 0.822520 0.802498 C\n0.150423 0.575775 0.808507 C\n0.349577 0.075775 0.308507 C\n0.849577 0.424225 0.191493 C\n0.650423 0.924225 0.691493 C\n0.227167 0.660119 0.873266 C\n0.272833 0.160119 0.373266 C\n0.772833 0.339881 0.126734 C\n0.727167 0.839881 0.626734 C\n0.918152 0.638794 0.915886 C\n0.581848 0.138794 0.415886 C\n0.081848 0.361206 0.084114 C\n0.418152 0.861206 0.584114 C\n0.938216 0.576508 0.957637 C\n0.561784 0.076508 0.457637 C\n0.061784 0.423492 0.042363 C\n0.438216 0.923492 0.542363 C\n0.136326 0.351023 0.619944 C\n0.363674 0.851023 0.119944 C\n0.863674 0.648977 0.380056 C\n0.636326 0.148977 0.880056 C\n0.127789 0.387751 0.553592 C\n0.372211 0.887751 0.053592 C\n0.872211 0.612249 0.446408 C\n0.627789 0.112249 0.946408 C\n0.919398 0.228796 0.569979 C\n0.580602 0.728796 0.069979 C\n0.080602 0.771204 0.430021 C\n0.419398 0.271204 0.930021 C\n0.997604 0.143538 0.552768 C\n0.502396 0.643538 0.052768 C\n0.002396 0.856462 0.447232 C\n0.497604 0.356462 0.947232 C\n0.017058 0.311393 0.750089 C\n0.482942 0.811393 0.250089 C\n0.982942 0.688607 0.249911 C\n0.517058 0.188607 0.749911 C\n0.900252 0.283469 0.786918 C\n0.599748 0.783469 0.286918 C\n0.099748 0.716531 0.213082 C\n0.400252 0.216531 0.713082 C\n","nsites":252,"nelements":5,"elements":["B","P","H","Rh","C"],"chemical_system":"B-C-H-P-Rh","density":1.1483339593405426,"density_atomic":0.0975116322124056,"volume":2584.3070645261964,"volume_molar":6.1758178212853805,"formula_full":"B32 P8 H156 Rh4 C52","formula_reduced":"B8P2H39RhC13","formula_anonymous":"AB2C8D13E39","energy":-1336.83883137,"energy_per_atom":-5.3049159975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1336.83883137,"band_gap":2.2831,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.98e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.317000Z","spacegroup":14},{"id":"mp-27845","created_at":"2022-09-04T14:39:32.332761Z","structure_string":"Ca8 Se16 O40\n1.0\n6.622488 0.000000 0.000000\n0.000000 10.366214 0.000000\n0.000000 0.000000 14.882146\nCa Se O\n8 16 40\ndirect\n0.555598 0.359664 0.593261 Ca\n0.055598 0.640336 0.906739 Ca\n0.944402 0.859664 0.406739 Ca\n0.444402 0.140336 0.093261 Ca\n0.444402 0.640336 0.406739 Ca\n0.944402 0.359664 0.093261 Ca\n0.055598 0.140336 0.593261 Ca\n0.555598 0.859664 0.906739 Ca\n0.889409 0.135942 0.270756 Se\n0.389409 0.864058 0.229244 Se\n0.610591 0.635942 0.729244 Se\n0.110591 0.364058 0.770756 Se\n0.110591 0.864058 0.729244 Se\n0.610591 0.135942 0.770756 Se\n0.389409 0.364058 0.270756 Se\n0.889409 0.635942 0.229244 Se\n0.853302 0.375226 0.417323 Se\n0.353302 0.624774 0.082677 Se\n0.646698 0.875226 0.582677 Se\n0.146698 0.124774 0.917323 Se\n0.146698 0.624774 0.582677 Se\n0.646698 0.375226 0.917323 Se\n0.353302 0.124774 0.417323 Se\n0.853302 0.875226 0.082677 Se\n0.756237 0.191774 0.180590 O\n0.256237 0.808226 0.319410 O\n0.743763 0.691774 0.819410 O\n0.243763 0.308226 0.680590 O\n0.243763 0.808226 0.819410 O\n0.743763 0.191774 0.680590 O\n0.256237 0.308226 0.180590 O\n0.756237 0.691774 0.319410 O\n0.788899 0.990376 0.293557 O\n0.288899 0.009624 0.206443 O\n0.711101 0.490376 0.706443 O\n0.211101 0.509624 0.793557 O\n0.211101 0.009624 0.706443 O\n0.711101 0.990376 0.793557 O\n0.288899 0.509624 0.293557 O\n0.898760 0.319391 0.522976 O\n0.788899 0.490376 0.206443 O\n0.252899 0.773119 0.135105 O\n0.747101 0.726881 0.635105 O\n0.247101 0.273119 0.864895 O\n0.247101 0.773119 0.635105 O\n0.747101 0.226881 0.864895 O\n0.252899 0.273119 0.364895 O\n0.752899 0.726881 0.135105 O\n0.625415 0.945398 0.062417 O\n0.125415 0.054602 0.437583 O\n0.874585 0.445398 0.937583 O\n0.374585 0.554602 0.562417 O\n0.374585 0.054602 0.937583 O\n0.874585 0.945398 0.562417 O\n0.125415 0.554602 0.062417 O\n0.625415 0.445398 0.437583 O\n0.898760 0.819391 0.977024 O\n0.398760 0.180609 0.522976 O\n0.601240 0.319391 0.022976 O\n0.101240 0.680609 0.477024 O\n0.101240 0.180609 0.022976 O\n0.601240 0.819391 0.477024 O\n0.398760 0.680609 0.977024 O\n0.752899 0.226881 0.364895 O\n","nsites":64,"nelements":3,"elements":["Ca","Se","O"],"chemical_system":"Ca-O-Se","density":3.6146741910864395,"density_atomic":0.06264307426474364,"volume":1021.6612251423307,"volume_molar":9.613418291939324,"formula_full":"Ca8 Se16 O40","formula_reduced":"CaSe2O5","formula_anonymous":"AB2C5","energy":-392.42633228,"energy_per_atom":-6.131661441875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-364.94633228,"band_gap":3.3948000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020883,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.842000Z","spacegroup":61},{"id":"mp-1036305","created_at":"2022-09-04T14:39:32.376509Z","structure_string":"Ba1 Ca1 Mg14 O16\n1.0\n8.801043 0.000000 0.000000\n0.000000 8.801043 0.000000\n0.000000 0.000000 4.540099\nBa Ca Mg O\n1 1 14 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.254473 0.000000 0.500000 Mg\n0.745527 0.000000 0.500000 Mg\n0.236278 0.500000 0.500000 Mg\n0.763722 0.500000 0.500000 Mg\n0.000000 0.254473 0.500000 Mg\n0.500000 0.236278 0.500000 Mg\n0.000000 0.745527 0.500000 Mg\n0.500000 0.763722 0.500000 Mg\n0.245256 0.245256 0.000000 Mg\n0.754744 0.245256 0.000000 Mg\n0.245256 0.754744 0.000000 Mg\n0.754744 0.754744 0.000000 Mg\n0.000000 0.258117 0.000000 O\n0.500000 0.220861 0.000000 O\n0.000000 0.741883 0.000000 O\n0.500000 0.779139 0.000000 O\n0.250289 0.250289 0.500000 O\n0.749711 0.250289 0.500000 O\n0.250289 0.749711 0.500000 O\n0.749711 0.749711 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.258117 0.000000 0.000000 O\n0.741883 0.000000 0.000000 O\n0.220861 0.500000 0.000000 O\n0.779139 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Ba","Ca","Mg","O"],"chemical_system":"Ba-Ca-Mg-O","density":3.6531597447081583,"density_atomic":0.0909947569954696,"volume":351.66861318826534,"volume_molar":6.618118404667895,"formula_full":"Ba1 Ca1 Mg14 O16","formula_reduced":"BaCaMg14O16","formula_anonymous":"ABC14D16","energy":-196.81092606,"energy_per_atom":-6.150341439375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.81892606,"band_gap":0.8754,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020933,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.939000Z","spacegroup":123},{"id":"mp-721876","created_at":"2022-09-04T14:39:32.412551Z","structure_string":"Al4 P8 H20 O36\n1.0\n9.365764 0.000000 0.000000\n0.000000 7.965667 0.000000\n0.000000 3.260604 8.741311\nAl P H O\n4 8 20 36\ndirect\n0.712128 0.867624 0.932908 Al\n0.212128 0.132376 0.567092 Al\n0.287872 0.132376 0.067092 Al\n0.787872 0.867624 0.432908 Al\n0.878651 0.126874 0.633129 P\n0.378651 0.873126 0.866871 P\n0.121349 0.873126 0.366871 P\n0.621349 0.126874 0.133129 P\n0.891034 0.625847 0.766468 P\n0.391034 0.374153 0.733532 P\n0.108966 0.374153 0.233532 P\n0.608966 0.625847 0.266468 P\n0.911740 0.867291 0.137170 H\n0.411740 0.132709 0.362830 H\n0.088260 0.132709 0.862830 H\n0.588260 0.867291 0.637170 H\n0.959990 0.748083 0.043459 H\n0.459990 0.251917 0.456541 H\n0.040010 0.251917 0.956541 H\n0.540010 0.748083 0.543459 H\n0.857202 0.425889 0.576689 H\n0.357202 0.574111 0.923311 H\n0.142798 0.574111 0.423311 H\n0.642798 0.425889 0.076689 H\n0.098582 0.776458 0.724073 H\n0.598582 0.223542 0.775927 H\n0.901418 0.223542 0.275927 H\n0.401418 0.776458 0.224073 H\n0.800898 0.377535 0.920318 H\n0.300898 0.622465 0.579682 H\n0.199102 0.622465 0.079682 H\n0.699102 0.377535 0.420318 H\n0.894647 0.845841 0.039865 O\n0.394647 0.154159 0.460135 O\n0.105353 0.154159 0.960135 O\n0.605353 0.845841 0.539865 O\n0.645460 0.029056 0.021652 O\n0.145460 0.970944 0.478348 O\n0.354540 0.970944 0.978348 O\n0.854540 0.029056 0.521652 O\n0.778269 0.068567 0.769829 O\n0.278269 0.931433 0.730171 O\n0.221731 0.931433 0.230171 O\n0.721731 0.068567 0.269829 O\n0.785832 0.710512 0.842983 O\n0.285832 0.289488 0.657017 O\n0.214168 0.289488 0.157017 O\n0.714168 0.710512 0.342983 O\n0.638971 0.662877 0.097627 O\n0.138971 0.337123 0.402373 O\n0.361029 0.337123 0.902373 O\n0.861029 0.662877 0.597627 O\n0.536862 0.878720 0.818689 O\n0.036862 0.121280 0.681311 O\n0.463138 0.121280 0.181311 O\n0.963138 0.878720 0.318689 O\n0.837531 0.331627 0.532444 O\n0.337531 0.668373 0.967556 O\n0.162469 0.668373 0.467556 O\n0.662469 0.331627 0.032444 O\n0.050916 0.669534 0.795580 O\n0.550916 0.330466 0.704420 O\n0.949084 0.330466 0.204420 O\n0.449084 0.669534 0.295580 O\n0.888702 0.415019 0.853313 O\n0.388702 0.584981 0.646687 O\n0.111298 0.584981 0.146687 O\n0.611298 0.415019 0.353314 O\n","nsites":68,"nelements":4,"elements":["Al","P","H","O"],"chemical_system":"Al-H-O-P","density":2.423691037461069,"density_atomic":0.10427182711761904,"volume":652.1416367174206,"volume_molar":5.775424605542781,"formula_full":"Al4 P8 H20 O36","formula_reduced":"AlP2H5O9","formula_anonymous":"AB2C5D9","energy":-453.63657881,"energy_per_atom":-6.671126158970588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-428.90457881,"band_gap":5.5286,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0030984,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.768000Z","spacegroup":14},{"id":"mp-1030738","created_at":"2022-09-04T14:39:32.455937Z","structure_string":"Na1 Mg6 B1 O7\n1.0\n8.907784 0.000000 0.000000\n-0.000000 4.231422 0.000000\n0.000000 0.000000 4.231422\nNa Mg B O\n1 6 1 7\ndirect\n-0.005965 -0.000000 0.000000 Na\n0.514801 0.000000 0.000000 Mg\n0.485090 0.500000 0.500000 Mg\n0.225154 0.000000 0.500000 Mg\n0.760533 0.000000 0.500000 Mg\n0.225154 0.500000 0.000000 Mg\n0.760533 0.500000 -0.000000 Mg\n0.953845 0.500000 0.500000 B\n0.742380 0.000000 -0.000000 O\n0.262150 0.500000 0.500000 O\n0.798029 0.500000 0.500000 O\n-0.004312 0.000000 0.500000 O\n0.518460 -0.000000 0.500000 O\n-0.004312 0.500000 -0.000000 O\n0.518460 0.500000 0.000000 O\n","nsites":15,"nelements":4,"elements":["Na","Mg","B","O"],"chemical_system":"B-Mg-Na-O","density":3.0362241431839347,"density_atomic":0.09404785658226775,"volume":159.4932680563416,"volume_molar":6.403272736718005,"formula_full":"Na1 Mg6 B1 O7","formula_reduced":"NaMg6BO7","formula_anonymous":"ABC6D7","energy":-85.70527441,"energy_per_atom":-5.713684960666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.89627441,"band_gap":0.0994999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.8504662,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.218000Z","spacegroup":99},{"id":"mp-863008","created_at":"2022-09-04T14:39:24.272017Z","structure_string":"Fe8 B12 H28 C24 O24\n1.0\n9.066373 0.000000 0.000000\n0.000000 11.094409 0.000000\n-2.089117 0.000000 12.350248\nFe B H C O\n8 12 28 24 24\ndirect\n0.361624 0.549538 0.742098 Fe\n0.638376 0.049538 0.757902 Fe\n0.638376 0.450462 0.257902 Fe\n0.361624 0.950462 0.242098 Fe\n0.118064 0.513920 0.819726 Fe\n0.881936 0.013920 0.680274 Fe\n0.881936 0.486080 0.180274 Fe\n0.118064 0.986080 0.319726 Fe\n0.183601 0.405018 0.701199 B\n0.816399 0.905018 0.798801 B\n0.816399 0.594982 0.298801 B\n0.183601 0.094982 0.201199 B\n0.027805 0.499708 0.658108 B\n0.972195 0.999708 0.841892 B\n0.972195 0.500292 0.341892 B\n0.027805 0.000292 0.158108 B\n0.135624 0.632968 0.694128 B\n0.864376 0.132968 0.805872 B\n0.864376 0.367032 0.305872 B\n0.135624 0.867032 0.194128 B\n0.308061 0.434971 0.663142 H\n0.691939 0.934971 0.836858 H\n0.691939 0.565029 0.336858 H\n0.308061 0.065029 0.163142 H\n0.263219 0.637121 0.653232 H\n0.736781 0.137121 0.846768 H\n0.736781 0.362879 0.346768 H\n0.263219 0.862879 0.153232 H\n0.100823 0.422331 0.604127 H\n0.899177 0.922331 0.895873 H\n0.899177 0.577669 0.395873 H\n0.100823 0.077669 0.104127 H\n0.058587 0.594866 0.600184 H\n0.941413 0.094866 0.899816 H\n0.941413 0.405134 0.399816 H\n0.058587 0.905134 0.100184 H\n0.187935 0.297193 0.705822 H\n0.812065 0.797193 0.794178 H\n0.812065 0.702807 0.294178 H\n0.187935 0.202807 0.205822 H\n0.898696 0.477796 0.625260 H\n0.101304 0.977796 0.874740 H\n0.101304 0.522204 0.374740 H\n0.898696 0.022204 0.125260 H\n0.097572 0.736075 0.695003 H\n0.902428 0.236075 0.804997 H\n0.902428 0.263925 0.304997 H\n0.097572 0.763925 0.195003 H\n0.419939 0.678916 0.821936 C\n0.580061 0.178916 0.678064 C\n0.580061 0.321084 0.178064 C\n0.419939 0.821084 0.321936 C\n0.459183 0.449455 0.839235 C\n0.540817 0.949455 0.660765 C\n0.540817 0.550545 0.160765 C\n0.459183 0.050545 0.339235 C\n0.500842 0.563775 0.657808 C\n0.499158 0.063775 0.842192 C\n0.499158 0.436225 0.342192 C\n0.500842 0.936225 0.157808 C\n0.143766 0.641150 0.907227 C\n0.856234 0.141150 0.592773 C\n0.856234 0.358850 0.092773 C\n0.143766 0.858850 0.407227 C\n0.928521 0.501531 0.828362 C\n0.071479 0.001531 0.671638 C\n0.071479 0.498469 0.171638 C\n0.928521 0.998469 0.328362 C\n0.173542 0.390808 0.909055 C\n0.826458 0.890808 0.590945 C\n0.826458 0.609192 0.090945 C\n0.173542 0.109192 0.409055 C\n0.458598 0.764619 0.871911 O\n0.541402 0.264619 0.628089 O\n0.541402 0.235381 0.128089 O\n0.458598 0.735381 0.371911 O\n0.522698 0.382107 0.901509 O\n0.477302 0.882107 0.598491 O\n0.477302 0.617893 0.098491 O\n0.522698 0.117893 0.401509 O\n0.590236 0.573770 0.602055 O\n0.409764 0.073770 0.897945 O\n0.409764 0.426230 0.397945 O\n0.590236 0.926230 0.102055 O\n0.156165 0.727290 0.961273 O\n0.843835 0.227290 0.538727 O\n0.843835 0.272710 0.038727 O\n0.156165 0.772710 0.461273 O\n0.801522 0.494859 0.833651 O\n0.198478 0.994859 0.666349 O\n0.198478 0.505141 0.166349 O\n0.801522 0.005141 0.333651 O\n0.205721 0.307624 0.964834 O\n0.794279 0.807624 0.535166 O\n0.794279 0.692376 0.035166 O\n0.205721 0.192376 0.464834 O\n","nsites":96,"nelements":5,"elements":["Fe","B","H","C","O"],"chemical_system":"B-C-Fe-H-O","density":1.7069147926192383,"density_atomic":0.0772783427149379,"volume":1242.2626654161309,"volume_molar":7.792792325029922,"formula_full":"Fe8 B12 H28 C24 O24","formula_reduced":"Fe2B3H7(CO)6","formula_anonymous":"A2B3C6D6E7","energy":-618.30106019,"energy_per_atom":-6.440636043645834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-578.75306019,"band_gap":3.6599,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0159852,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.344000Z","spacegroup":14},{"id":"mp-1019744","created_at":"2022-09-04T14:39:35.199430Z","structure_string":"K4 Al4 Si6 O20\n1.0\n0.000000 8.647621 9.275398\n3.327013 0.000000 9.275398\n3.327013 8.647621 0.000000\nK Al Si O\n4 4 6 20\ndirect\n0.967506 0.157633 0.614810 K\n0.260052 0.614810 0.157633 K\n0.635190 0.989948 0.282494 K\n0.092367 0.282494 0.989948 K\n0.573849 0.730526 0.996575 Al\n0.699050 0.996575 0.730526 Al\n0.253425 0.550950 0.676151 Al\n0.519474 0.676151 0.550950 Al\n0.255189 0.244811 0.244811 Si\n0.005189 0.994811 0.994811 Si\n0.551797 0.504831 0.236794 Si\n0.706579 0.236794 0.504831 Si\n0.013206 0.543421 0.698203 Si\n0.745169 0.698203 0.543421 Si\n0.343803 0.017659 0.213055 O\n0.425483 0.213055 0.017659 O\n0.036945 0.824517 0.906197 O\n0.232341 0.906197 0.824517 O\n0.507736 0.608579 0.102390 O\n0.781295 0.102390 0.608579 O\n0.147610 0.468705 0.742264 O\n0.641421 0.742264 0.468705 O\n0.835865 0.559373 0.875815 O\n0.728946 0.875815 0.559373 O\n0.374185 0.521054 0.414135 O\n0.690627 0.414135 0.521054 O\n0.529973 0.640167 0.360042 O\n0.469818 0.360042 0.640167 O\n0.889958 0.780182 0.720027 O\n0.609833 0.720027 0.780182 O\n0.816633 0.234270 0.035971 O\n0.913127 0.035971 0.234270 O\n0.214029 0.336873 0.433367 O\n0.015730 0.433367 0.336873 O\n","nsites":34,"nelements":4,"elements":["K","Al","Si","O"],"chemical_system":"Al-K-O-Si","density":2.3422149860367654,"density_atomic":0.06370378282016272,"volume":533.720267381653,"volume_molar":9.453348754815151,"formula_full":"K4 Al4 Si6 O20","formula_reduced":"K2Al2Si3O10","formula_anonymous":"A2B2C3D10","energy":-259.49857178,"energy_per_atom":-7.632310934705883,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-245.75857178,"band_gap":4.5998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004164,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.192000Z","spacegroup":43}]}