{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=62","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=60","results":[{"id":"mp-762249","created_at":"2022-09-04T14:39:11.099576Z","structure_string":"V2 C4 O12\n1.0\n4.570987 -0.001138 -0.009432\n-0.001513 6.301509 -0.001875\n0.167092 -0.002290 7.749802\nV C O\n2 4 12\ndirect\n0.499723 0.000146 0.999930 V\n0.999884 0.500117 0.500052 V\n0.010349 0.203397 0.807750 C\n0.509942 0.296591 0.307881 C\n0.490050 0.703394 0.692120 C\n0.989608 0.796579 0.192120 C\n0.123434 0.293208 0.673190 O\n0.376891 0.793046 0.826754 O\n0.623221 0.206881 0.173314 O\n0.876591 0.706670 0.326733 O\n0.182725 0.173954 0.939120 O\n0.317831 0.673936 0.560672 O\n0.682356 0.326185 0.439350 O\n0.817241 0.826165 0.060879 O\n0.243775 0.355589 0.314655 O\n0.255909 0.855697 0.185429 O\n0.744132 0.144174 0.814550 O\n0.756338 0.644270 0.685501 O\n","nsites":18,"nelements":3,"elements":["V","C","O"],"chemical_system":"C-O-V","density":2.543357515627602,"density_atomic":0.08063212279569303,"volume":223.23609221610957,"volume_molar":7.468662055765291,"formula_full":"V2 C4 O12","formula_reduced":"V(CO3)2","formula_anonymous":"AB2C6","energy":-149.70945126,"energy_per_atom":-8.317191736666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.06545126,"band_gap":1.2456,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0009113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.825000Z","spacegroup":14},{"id":"mp-1034985","created_at":"2022-09-04T14:39:11.106583Z","structure_string":"Rb1 Mg14 Co1 O16\n1.0\n8.746702 0.000000 0.000000\n0.000000 8.746702 0.000000\n0.000000 0.000000 4.311036\nRb Mg Co O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.247783 0.500000 Mg\n0.000000 0.752217 0.500000 Mg\n0.500000 0.236267 0.500000 Mg\n0.500000 0.763733 0.500000 Mg\n0.247783 0.000000 0.500000 Mg\n0.236267 0.500000 0.500000 Mg\n0.752217 0.000000 0.500000 Mg\n0.763733 0.500000 0.500000 Mg\n0.247317 0.247317 0.000000 Mg\n0.247317 0.752683 0.000000 Mg\n0.752683 0.247317 0.000000 Mg\n0.752683 0.752683 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.240886 0.000000 0.000000 O\n0.220681 0.500000 0.000000 O\n0.759114 0.000000 0.000000 O\n0.779319 0.500000 0.000000 O\n0.250345 0.250345 0.500000 O\n0.250345 0.749655 0.500000 O\n0.749655 0.250345 0.500000 O\n0.749655 0.749655 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 0.240886 0.000000 O\n0.000000 0.759114 0.000000 O\n0.500000 0.220681 0.000000 O\n0.500000 0.779319 0.000000 O\n","nsites":32,"nelements":4,"elements":["Rb","Mg","Co","O"],"chemical_system":"Co-Mg-O-Rb","density":3.7290524856237357,"density_atomic":0.09702411009063976,"volume":329.8149291975536,"volume_molar":6.206849776178443,"formula_full":"Rb1 Mg14 Co1 O16","formula_reduced":"RbMg14CoO16","formula_anonymous":"ABC14D16","energy":-195.22709691,"energy_per_atom":-6.1008467784375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.59709691,"band_gap":2.4425,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.666715,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.205000Z","spacegroup":123},{"id":"mp-1217742","created_at":"2022-09-04T14:39:11.112556Z","structure_string":"Tb3 U1 Co8 Ge8\n1.0\n3.993396 0.000000 0.000000\n0.000000 3.993396 0.000000\n0.000000 0.000000 20.126334\nTb U Co Ge\n3 1 8 8\ndirect\n0.500000 0.500000 0.248978 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.751022 Tb\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.123252 Co\n0.500000 0.000000 0.375028 Co\n0.000000 0.500000 0.624972 Co\n0.500000 0.000000 0.876748 Co\n0.500000 0.000000 0.123252 Co\n0.000000 0.500000 0.375028 Co\n0.500000 0.000000 0.624972 Co\n0.000000 0.500000 0.876748 Co\n0.500000 0.500000 0.062463 Ge\n0.000000 0.000000 0.313900 Ge\n0.500000 0.500000 0.564279 Ge\n0.000000 0.000000 0.813811 Ge\n0.000000 0.000000 0.186189 Ge\n0.500000 0.500000 0.435721 Ge\n0.000000 0.000000 0.686100 Ge\n0.500000 0.500000 0.937537 Ge\n","nsites":20,"nelements":4,"elements":["Tb","U","Co","Ge"],"chemical_system":"Co-Ge-Tb-U","density":9.143915117342695,"density_atomic":0.062313272963758166,"volume":320.95890728821354,"volume_molar":9.664298589327059,"formula_full":"Tb3 U1 Co8 Ge8","formula_reduced":"Tb3U(CoGe)8","formula_anonymous":"AB3C8D8","energy":-129.53511235,"energy_per_atom":-6.476755617499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.53511235,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0104603,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.033000Z","spacegroup":123},{"id":"mp-771882","created_at":"2022-09-04T14:39:11.062846Z","structure_string":"Nb8 V8 O40\n1.0\n5.577371 0.000000 0.000000\n0.000000 14.046604 0.000000\n0.000000 7.119617 12.142151\nNb V O\n8 8 40\ndirect\n0.741880 0.940943 0.857302 Nb\n0.758120 0.940943 0.357302 Nb\n0.246814 0.559263 0.798934 Nb\n0.746814 0.440737 0.701066 Nb\n0.253186 0.559263 0.298934 Nb\n0.753186 0.440737 0.201066 Nb\n0.241880 0.059057 0.642698 Nb\n0.258120 0.059057 0.142698 Nb\n0.266461 0.846031 0.562391 V\n0.759709 0.654161 0.907443 V\n0.233539 0.846031 0.062391 V\n0.740291 0.654161 0.407443 V\n0.259709 0.345839 0.592557 V\n0.766461 0.153969 0.937609 V\n0.240291 0.345839 0.092557 V\n0.733539 0.153969 0.437609 V\n0.032609 0.991459 0.767354 O\n0.455456 0.884392 0.964566 O\n0.241604 0.925184 0.625687 O\n0.745711 0.795260 0.867752 O\n0.467391 0.991459 0.267354 O\n0.044544 0.884392 0.464566 O\n0.541867 0.867040 0.501146 O\n0.037149 0.624390 0.874394 O\n0.540329 0.625509 0.840884 O\n0.230412 0.705088 0.662984 O\n0.258396 0.925184 0.125687 O\n0.754289 0.795260 0.367752 O\n0.283745 0.426089 0.950235 O\n0.974481 0.501445 0.762247 O\n0.474481 0.498555 0.737753 O\n0.958133 0.867040 0.001146 O\n0.783745 0.573911 0.549765 O\n0.462851 0.624390 0.374394 O\n0.959671 0.625509 0.340884 O\n0.269588 0.705088 0.162984 O\n0.730412 0.294912 0.837016 O\n0.040329 0.374491 0.659116 O\n0.537149 0.375610 0.625606 O\n0.216255 0.426089 0.450235 O\n0.041867 0.132960 0.998854 O\n0.525519 0.501445 0.262247 O\n0.025519 0.498555 0.237753 O\n0.716255 0.573911 0.049765 O\n0.245711 0.204740 0.632248 O\n0.741604 0.074816 0.874313 O\n0.769588 0.294912 0.337016 O\n0.459671 0.374491 0.159116 O\n0.962851 0.375610 0.125606 O\n0.458133 0.132960 0.498854 O\n0.955456 0.115608 0.535434 O\n0.532609 0.008541 0.732646 O\n0.254289 0.204740 0.132248 O\n0.758396 0.074816 0.374313 O\n0.544544 0.115608 0.035434 O\n0.967391 0.008541 0.232646 O\n","nsites":56,"nelements":3,"elements":["Nb","V","O"],"chemical_system":"Nb-O-V","density":3.1260055662164867,"density_atomic":0.058869659560510615,"volume":951.2540146837274,"volume_molar":10.22961709810806,"formula_full":"Nb8 V8 O40","formula_reduced":"NbVO5","formula_anonymous":"ABC5","energy":-503.328874,"energy_per_atom":-8.988015607142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-462.248874,"band_gap":1.7722,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003214,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.269000Z","spacegroup":14},{"id":"mp-706302","created_at":"2022-09-04T14:39:11.083435Z","structure_string":"Al16 P16 H32 O88\n1.0\n9.868007 0.000000 0.000000\n0.000000 9.876240 0.000000\n0.000000 0.000000 19.544133\nAl P H O\n16 16 32 88\ndirect\n0.823325 0.914145 0.949272 Al\n0.176675 0.585855 0.449272 Al\n0.676675 0.414145 0.050728 Al\n0.323325 0.085855 0.550728 Al\n0.176675 0.085855 0.050728 Al\n0.823325 0.414145 0.550728 Al\n0.323325 0.585855 0.949272 Al\n0.676675 0.914145 0.449272 Al\n0.648529 0.666934 0.782915 Al\n0.351471 0.833066 0.282915 Al\n0.851471 0.166934 0.217085 Al\n0.148529 0.333066 0.717085 Al\n0.351471 0.333066 0.217085 Al\n0.648529 0.166934 0.717085 Al\n0.148529 0.833066 0.782915 Al\n0.851471 0.666934 0.282915 Al\n0.634599 0.659224 0.948514 P\n0.365401 0.840776 0.448514 P\n0.865401 0.159224 0.051486 P\n0.134599 0.340776 0.551486 P\n0.365401 0.340776 0.051486 P\n0.634599 0.159224 0.551486 P\n0.134599 0.840776 0.948514 P\n0.865401 0.659224 0.448514 P\n0.840500 0.932474 0.790287 P\n0.159500 0.567526 0.290287 P\n0.659500 0.432474 0.209713 P\n0.340500 0.067526 0.709713 P\n0.159500 0.067526 0.209713 P\n0.840500 0.432474 0.709713 P\n0.340500 0.567526 0.790287 P\n0.659500 0.932474 0.290287 P\n0.546259 0.685771 0.656619 H\n0.453741 0.814229 0.156619 H\n0.953741 0.185771 0.343381 H\n0.046259 0.314229 0.843381 H\n0.453741 0.314229 0.343381 H\n0.546259 0.185771 0.843381 H\n0.046259 0.814229 0.656619 H\n0.953741 0.685771 0.156619 H\n0.695455 0.755156 0.655102 H\n0.304545 0.744844 0.155102 H\n0.804545 0.255156 0.344898 H\n0.195455 0.244844 0.844898 H\n0.304545 0.244844 0.344898 H\n0.695455 0.255156 0.844898 H\n0.195455 0.744844 0.655102 H\n0.804545 0.755156 0.155102 H\n0.545963 0.909043 0.777632 H\n0.454037 0.590957 0.277632 H\n0.954037 0.409043 0.222368 H\n0.045963 0.090957 0.722368 H\n0.454037 0.090957 0.222368 H\n0.545963 0.409043 0.722368 H\n0.045963 0.590957 0.777632 H\n0.954037 0.909043 0.277632 H\n0.437415 0.803156 0.801576 H\n0.562585 0.696844 0.301576 H\n0.062585 0.303156 0.198424 H\n0.937415 0.196844 0.698424 H\n0.562585 0.196844 0.198424 H\n0.437415 0.303156 0.698424 H\n0.937415 0.696844 0.801576 H\n0.062585 0.803156 0.301576 H\n0.669083 0.622458 0.874728 O\n0.330917 0.877542 0.374728 O\n0.830917 0.122458 0.125272 O\n0.169083 0.377542 0.625272 O\n0.330917 0.377542 0.125272 O\n0.669083 0.122458 0.625272 O\n0.169083 0.877542 0.874728 O\n0.830917 0.622458 0.374728 O\n0.980266 0.833387 0.961055 O\n0.019734 0.666613 0.461055 O\n0.519734 0.333387 0.038945 O\n0.480266 0.166613 0.538945 O\n0.019734 0.166613 0.038945 O\n0.980266 0.333387 0.538945 O\n0.480266 0.666613 0.961055 O\n0.519734 0.833387 0.461055 O\n0.697064 0.553265 0.997034 O\n0.302936 0.946735 0.497034 O\n0.802936 0.053265 0.002966 O\n0.197064 0.446735 0.502966 O\n0.302936 0.446735 0.002966 O\n0.697064 0.053265 0.502966 O\n0.197064 0.946735 0.997034 O\n0.802936 0.553265 0.497034 O\n0.693535 0.799240 0.968157 O\n0.306465 0.700760 0.468157 O\n0.806465 0.299240 0.031843 O\n0.193535 0.200760 0.531843 O\n0.306465 0.200760 0.031843 O\n0.693535 0.299240 0.531843 O\n0.193535 0.700760 0.968157 O\n0.806465 0.799240 0.468157 O\n0.993231 0.942405 0.773065 O\n0.006769 0.557595 0.273065 O\n0.506769 0.442405 0.226935 O\n0.493231 0.057595 0.726935 O\n0.006769 0.057595 0.226935 O\n0.993231 0.442405 0.726935 O\n0.493231 0.557595 0.773065 O\n0.506769 0.942405 0.273065 O\n0.815379 0.977136 0.865360 O\n0.184621 0.522864 0.365360 O\n0.684621 0.477136 0.134640 O\n0.315379 0.022864 0.634640 O\n0.184621 0.022864 0.134640 O\n0.815379 0.477136 0.634640 O\n0.315379 0.522864 0.865360 O\n0.684621 0.977136 0.365360 O\n0.800177 0.780985 0.782317 O\n0.199823 0.719015 0.282317 O\n0.699823 0.280985 0.217683 O\n0.300177 0.219015 0.717683 O\n0.199823 0.219015 0.217683 O\n0.800177 0.280985 0.717683 O\n0.300177 0.719015 0.782317 O\n0.699823 0.780985 0.282317 O\n0.757952 0.521360 0.757573 O\n0.242048 0.978640 0.257573 O\n0.742048 0.021360 0.242427 O\n0.257952 0.478640 0.742427 O\n0.242048 0.478640 0.242427 O\n0.757952 0.021360 0.742427 O\n0.257952 0.978640 0.757573 O\n0.742048 0.521360 0.257573 O\n0.621352 0.721270 0.684529 O\n0.378648 0.778730 0.184529 O\n0.878648 0.221270 0.315471 O\n0.121352 0.278730 0.815471 O\n0.378648 0.278730 0.315471 O\n0.621352 0.221270 0.815471 O\n0.121352 0.778730 0.684529 O\n0.878648 0.721270 0.184529 O\n0.536516 0.826173 0.805758 O\n0.463484 0.673827 0.305758 O\n0.963484 0.326173 0.194242 O\n0.036516 0.173827 0.694242 O\n0.463484 0.173827 0.194242 O\n0.536516 0.326173 0.694242 O\n0.036516 0.673827 0.805758 O\n0.963484 0.826173 0.305758 O\n0.860287 0.840137 0.623416 O\n0.139713 0.659863 0.123416 O\n0.639713 0.340137 0.376584 O\n0.360287 0.159863 0.876584 O\n0.139713 0.159863 0.376584 O\n0.860287 0.340137 0.876584 O\n0.360287 0.659863 0.623416 O\n0.639713 0.840137 0.123416 O\n","nsites":152,"nelements":4,"elements":["Al","P","H","O"],"chemical_system":"Al-H-O-P","density":2.0639493723149576,"density_atomic":0.07980058858527148,"volume":1904.7478558078471,"volume_molar":7.546486644725683,"formula_full":"Al16 P16 H32 O88","formula_reduced":"Al2P2H4O11","formula_anonymous":"A2B2C4D11","energy":-1026.6302424,"energy_per_atom":-6.754146331578948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-966.1742424,"band_gap":0.3152,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0817776,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.472000Z","spacegroup":61},{"id":"mp-21695","created_at":"2022-09-04T14:39:11.306435Z","structure_string":"Ce2 Ni24 B12\n1.0\n3.684114 -4.784501 0.000000\n3.684114 4.784501 0.000000\n0.000000 0.000000 10.983642\nCe Ni B\n2 24 12\ndirect\n0.831957 0.831957 0.497041 Ce\n0.168043 0.168043 0.997041 Ce\n0.145885 0.879571 0.755268 Ni\n0.120429 0.854115 0.255268 Ni\n0.342283 0.730564 0.067859 Ni\n0.657717 0.269436 0.567859 Ni\n0.269436 0.657717 0.567859 Ni\n0.879571 0.145885 0.755268 Ni\n0.630212 0.994743 0.937165 Ni\n0.369788 0.005257 0.437165 Ni\n0.005257 0.369788 0.437165 Ni\n0.994743 0.630212 0.937165 Ni\n0.528269 0.788696 0.276631 Ni\n0.471731 0.211304 0.776631 Ni\n0.211304 0.471731 0.776631 Ni\n0.788696 0.528269 0.276631 Ni\n0.196209 0.457831 0.233927 Ni\n0.803791 0.542169 0.733927 Ni\n0.542169 0.803791 0.733927 Ni\n0.457831 0.196209 0.233927 Ni\n0.218817 0.218817 0.597864 Ni\n0.781183 0.781183 0.097864 Ni\n0.436089 0.436089 0.418724 Ni\n0.563911 0.563911 0.918724 Ni\n0.730564 0.342283 0.067859 Ni\n0.854115 0.120429 0.255268 Ni\n0.013343 0.600978 0.122516 B\n0.986657 0.399022 0.622516 B\n0.244874 0.675330 0.385654 B\n0.755126 0.324670 0.885654 B\n0.324670 0.755126 0.885654 B\n0.675330 0.244874 0.385654 B\n0.487156 0.487156 0.655541 B\n0.512844 0.512844 0.155541 B\n0.836638 0.836638 0.835794 B\n0.163362 0.163362 0.335794 B\n0.399022 0.986657 0.622516 B\n0.600978 0.013343 0.122516 B\n","nsites":38,"nelements":3,"elements":["Ce","Ni","B"],"chemical_system":"B-Ce-Ni","density":7.79904716366781,"density_atomic":0.09813807202228175,"volume":387.2095631894245,"volume_molar":6.136396034591654,"formula_full":"Ce2 Ni24 B12","formula_reduced":"Ce(Ni2B)6","formula_anonymous":"AB6C12","energy":-245.60711085,"energy_per_atom":-6.463345022368421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-245.60711085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7182372,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.095000Z","spacegroup":36},{"id":"mp-560885","created_at":"2022-09-04T14:39:11.513980Z","structure_string":"Ca4 Si4 O12\n1.0\n5.101694 0.000000 0.000000\n0.000000 5.115749 0.000000\n0.000000 0.000000 7.206447\nCa Si O\n4 4 12\ndirect\n0.492800 0.998942 0.250000 Ca\n0.507200 0.001058 0.750000 Ca\n0.992800 0.501058 0.250000 Ca\n0.007200 0.498942 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.737891 0.762110 0.481901 O\n0.262109 0.237890 0.981901 O\n0.998764 0.964568 0.750000 O\n0.762109 0.262110 0.518099 O\n0.001236 0.035432 0.250000 O\n0.501236 0.464568 0.250000 O\n0.762109 0.262110 0.981901 O\n0.498764 0.535432 0.750000 O\n0.262109 0.237890 0.518099 O\n0.237891 0.737890 0.481901 O\n0.737891 0.762110 0.018099 O\n0.237891 0.737890 0.018099 O\n","nsites":20,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":4.102298110406588,"density_atomic":0.10633718630533077,"volume":188.0809592100086,"volume_molar":5.663250053192451,"formula_full":"Ca4 Si4 O12","formula_reduced":"CaSiO3","formula_anonymous":"ABC3","energy":-153.23530981,"energy_per_atom":-7.6617654905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.99130981,"band_gap":5.6854000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.429000Z","spacegroup":62},{"id":"mp-866844","created_at":"2022-09-04T14:39:11.605583Z","structure_string":"Ca4 Sn4 S12\n1.0\n6.730638 0.000000 0.000000\n0.000000 7.063580 0.000000\n0.000000 0.000000 9.634918\nCa Sn S\n4 4 12\ndirect\n0.468572 0.911964 0.250000 Ca\n0.031428 0.411964 0.250000 Ca\n0.531428 0.088036 0.750000 Ca\n0.968572 0.588036 0.750000 Ca\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.633133 0.548386 0.250000 S\n0.866867 0.048386 0.250000 S\n0.366867 0.451614 0.750000 S\n0.133133 0.951614 0.750000 S\n0.185977 0.691052 0.435077 S\n0.314023 0.191052 0.064923 S\n0.814023 0.308948 0.935077 S\n0.685977 0.808948 0.564923 S\n0.814023 0.308948 0.564923 S\n0.685977 0.808948 0.935077 S\n0.185977 0.691052 0.064923 S\n0.314023 0.191052 0.435077 S\n","nsites":20,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.6973553398359327,"density_atomic":0.043661723142178636,"volume":458.0671251767284,"volume_molar":13.79272352671399,"formula_full":"Ca4 Sn4 S12","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-99.23224919999998,"energy_per_atom":-4.96161246,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.19624919999998,"band_gap":0.9076,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012443,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.339000Z","spacegroup":62},{"id":"mp-760137","created_at":"2022-09-04T14:39:11.620619Z","structure_string":"Li28 V4 O16 F8\n1.0\n5.531279 0.086607 -0.086040\n2.705916 2.576379 9.179154\n-0.125408 -10.431632 -0.075177\nLi V O F\n28 4 16 8\ndirect\n0.042230 0.265073 0.937327 Li\n0.542179 0.265465 0.437532 Li\n0.292299 0.765130 0.187164 Li\n0.792001 0.765135 0.687342 Li\n0.245559 0.125433 0.729160 Li\n0.745699 0.125292 0.229368 Li\n0.495679 0.625308 0.978864 Li\n0.995551 0.625666 0.479195 Li\n0.144276 0.461781 0.905177 Li\n0.644187 0.462422 0.405463 Li\n0.394146 0.962159 0.155343 Li\n0.894080 0.962187 0.655285 Li\n0.363003 0.311652 0.652183 Li\n0.863180 0.311245 0.151833 Li\n0.612639 0.811488 0.901640 Li\n0.113305 0.811458 0.401598 Li\n0.620845 0.062642 0.845128 Li\n0.120875 0.062756 0.345262 Li\n0.870886 0.562400 0.095029 Li\n0.370340 0.562998 0.595252 Li\n0.446881 0.249947 0.071685 Li\n0.947276 0.250744 0.571854 Li\n0.696719 0.750298 0.321585 Li\n0.196538 0.750162 0.821532 Li\n0.702861 0.268530 0.809785 Li\n0.202601 0.268510 0.309857 Li\n0.952579 0.768329 0.059588 Li\n0.452190 0.768717 0.559919 Li\n0.508661 0.013150 0.493420 V\n0.758425 0.513222 0.743570 V\n0.008853 0.013008 0.993592 V\n0.258773 0.512813 0.243412 V\n0.012812 0.321115 0.764407 O\n0.512988 0.321264 0.264497 O\n0.262902 0.821224 0.014322 O\n0.762653 0.821408 0.514293 O\n0.146030 0.398677 0.073618 O\n0.645932 0.399348 0.573930 O\n0.396015 0.898995 0.323401 O\n0.895926 0.898952 0.823547 O\n0.583513 0.122251 0.679009 O\n0.083615 0.122162 0.179075 O\n0.833661 0.621649 0.928396 O\n0.333614 0.622232 0.428909 O\n0.766798 0.196403 0.973297 O\n0.266880 0.196652 0.473289 O\n0.016773 0.696293 0.223049 O\n0.516473 0.696570 0.723206 O\n0.288312 0.078048 0.900478 F\n0.788289 0.078334 0.400613 F\n0.538297 0.577923 0.150215 F\n0.038159 0.578257 0.650379 F\n0.461941 0.460825 0.838253 F\n0.962382 0.461111 0.338335 F\n0.712268 0.961097 0.088192 F\n0.212008 0.961296 0.587986 F\n","nsites":56,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.5213395515502226,"density_atomic":0.1054838218818638,"volume":530.8870971959756,"volume_molar":5.709065762467796,"formula_full":"Li28 V4 O16 F8","formula_reduced":"Li7V(O2F)2","formula_anonymous":"AB2C4D7","energy":-319.46491548,"energy_per_atom":-5.704730633571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.97691548,"band_gap":2.0031,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9327197,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.014000Z","spacegroup":1},{"id":"mp-1094345","created_at":"2022-09-04T14:39:11.641268Z","structure_string":"Mg3 Ti3\n1.0\n1.497680 -7.970059 0.000000\n1.497680 7.970059 0.000000\n0.000000 0.000000 4.884232\nMg Ti\n3 3\ndirect\n0.336423 0.663577 0.000000 Mg\n0.109805 0.890195 0.500000 Mg\n0.776155 0.223845 0.500000 Mg\n0.005018 0.994982 0.000000 Ti\n0.652782 0.347218 0.000000 Ti\n0.453150 0.546850 0.500000 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":3.0834168806043274,"density_atomic":0.051456992970061365,"volume":116.60222748521103,"volume_molar":11.703250447424693,"formula_full":"Mg3 Ti3","formula_reduced":"MgTi","formula_anonymous":"AB","energy":-27.41135151,"energy_per_atom":-4.568558585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.41135151,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9364277,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.917000Z","spacegroup":38},{"id":"mp-1113099","created_at":"2022-09-04T14:39:11.120735Z","structure_string":"Cs2 In1 Ga1 F6\n1.0\n0.000000 4.682103 4.682103\n4.682103 0.000000 4.682103\n4.682103 4.682103 0.000000\nCs In Ga 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 In\n0.000000 0.000000 0.000000 Ga\n0.726893 0.273107 0.273107 F\n0.273107 0.273107 0.726893 F\n0.273107 0.726893 0.726893 F\n0.273107 0.726893 0.273107 F\n0.726893 0.273107 0.726893 F\n0.726893 0.726893 0.273107 F\n","nsites":10,"nelements":4,"elements":["Cs","In","Ga","F"],"chemical_system":"Cs-F-Ga-In","density":4.564979517313093,"density_atomic":0.04871325099832463,"volume":205.28295268866216,"volume_molar":12.36242836719544,"formula_full":"Cs2 In1 Ga1 F6","formula_reduced":"Cs2InGaF6","formula_anonymous":"ABC2D6","energy":-46.49717623,"energy_per_atom":-4.649717623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.72517623,"band_gap":3.3133,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000251,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.881000Z","spacegroup":225},{"id":"mp-776202","created_at":"2022-09-04T14:39:07.325210Z","structure_string":"Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n","nsites":36,"nelements":5,"elements":["Cr","Fe","Sb","P","O"],"chemical_system":"Cr-Fe-O-P-Sb","density":3.527502698279455,"density_atomic":0.07940401145998474,"volume":453.3775981600378,"volume_molar":7.584176982084624,"formula_full":"Cr2 Fe3 Sb1 P6 O24","formula_reduced":"Cr2Fe3Sb(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-284.18524031000004,"energy_per_atom":-7.894034453055557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.93124031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9437991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.452000Z","spacegroup":146}]}