{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10164","results":[{"id":"mp-1374432","created_at":"2022-09-04T14:41:26.971936Z","structure_string":"Mg4 Ni4 As4 O20\n1.0\n5.804870 0.000000 0.000000\n0.000000 7.487950 0.000000\n0.000000 0.000000 8.385389\nMg Ni As O\n4 4 4 20\ndirect\n0.027135 0.833678 0.679316 Mg\n0.472865 0.166322 0.179316 Mg\n0.972865 0.333678 0.820684 Mg\n0.527135 0.666322 0.320684 Mg\n0.256764 0.755817 0.998523 Ni\n0.243236 0.244183 0.498523 Ni\n0.743236 0.255817 0.501477 Ni\n0.756764 0.744183 0.001477 Ni\n0.477891 0.111109 0.820550 As\n0.022109 0.888891 0.320550 As\n0.522109 0.611109 0.679450 As\n0.977891 0.388891 0.179450 As\n0.514244 0.921293 0.934016 O\n0.985756 0.078707 0.434016 O\n0.485756 0.421293 0.565984 O\n0.014244 0.578707 0.065984 O\n0.405617 0.268437 0.957062 O\n0.094383 0.731563 0.457062 O\n0.594383 0.768437 0.542938 O\n0.905617 0.231563 0.042938 O\n0.734290 0.146912 0.722296 O\n0.765710 0.853088 0.222296 O\n0.265710 0.646912 0.777704 O\n0.234290 0.353088 0.277704 O\n0.241201 0.090344 0.697116 O\n0.258799 0.909656 0.197116 O\n0.758799 0.590344 0.802884 O\n0.741201 0.409656 0.302884 O\n0.999312 0.872659 0.916272 O\n0.500688 0.127341 0.416272 O\n0.000688 0.372659 0.583728 O\n0.499312 0.627341 0.083728 O\n","nsites":32,"nelements":4,"elements":["Mg","Ni","As","O"],"chemical_system":"As-Mg-Ni-O","density":4.335666965158262,"density_atomic":0.0877953126903521,"volume":364.48415091203964,"volume_molar":6.859296442441829,"formula_full":"Mg4 Ni4 As4 O20","formula_reduced":"MgNiAsO5","formula_anonymous":"ABCD5","energy":-203.50238869,"energy_per_atom":-6.3594496465625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.59838869,"band_gap":0.1511999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9948318,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.088000Z","spacegroup":19},{"id":"mp-1192496","created_at":"2022-09-04T14:45:20.594550Z","structure_string":"H12 C4 O8 F4\n1.0\n0.000000 -6.587226 0.000000\n-6.693551 0.000000 0.000000\n0.000000 0.000000 -7.233102\nH C O F\n12 4 8 4\ndirect\n0.750000 0.118630 0.638970 H\n0.750000 0.618630 0.861030 H\n0.250000 0.881370 0.361030 H\n0.250000 0.381370 0.138970 H\n0.750000 0.394890 0.176973 H\n0.750000 0.894890 0.323027 H\n0.250000 0.605110 0.823027 H\n0.250000 0.105110 0.676973 H\n0.750000 0.108726 0.950195 H\n0.750000 0.608726 0.549805 H\n0.250000 0.891274 0.049805 H\n0.250000 0.391274 0.450195 H\n0.750000 0.253907 0.877716 C\n0.750000 0.753907 0.622284 C\n0.250000 0.746093 0.122284 C\n0.250000 0.246093 0.377716 C\n0.750000 0.413689 0.967235 O\n0.750000 0.913689 0.532765 O\n0.250000 0.586311 0.032765 O\n0.250000 0.086311 0.467235 O\n0.750000 0.258132 0.698532 O\n0.750000 0.758132 0.801468 O\n0.250000 0.741868 0.301468 O\n0.250000 0.241868 0.198532 O\n0.750000 0.390972 0.313304 F\n0.750000 0.890972 0.186696 F\n0.250000 0.609028 0.686696 F\n0.250000 0.109028 0.813304 F\n","nsites":28,"nelements":4,"elements":["H","C","O","F"],"chemical_system":"C-F-H-O","density":1.3752383978722595,"density_atomic":0.08779591336462307,"volume":318.9214500646959,"volume_molar":6.859249513117534,"formula_full":"H12 C4 O8 F4","formula_reduced":"H3CO2F","formula_anonymous":"ABC2D3","energy":-162.89771746,"energy_per_atom":-5.817775623571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.55371746,"band_gap":5.5308,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000857,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.141000Z","spacegroup":62},{"id":"mp-1224419","created_at":"2022-09-04T14:47:09.082376Z","structure_string":"Hf1 Nb1 N2\n1.0\n5.286197 -1.589453 0.000000\n5.286197 1.589453 0.000000\n4.808281 0.000000 2.711214\nHf Nb N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.254231 0.254231 0.254231 N\n0.745769 0.745769 0.745769 N\n","nsites":4,"nelements":3,"elements":["Hf","Nb","N"],"chemical_system":"Hf-N-Nb","density":10.912650625559788,"density_atomic":0.08779608756204779,"volume":45.56011675546584,"volume_molar":6.859235903586246,"formula_full":"Hf1 Nb1 N2","formula_reduced":"HfNbN2","formula_anonymous":"ABC2","energy":-42.86449665,"energy_per_atom":-10.7161241625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.14249665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.51e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.808000Z","spacegroup":166},{"id":"mp-774164","created_at":"2022-09-04T14:45:24.761678Z","structure_string":"Li8 V12 Sn4 O32\n1.0\n8.565578 -0.000592 0.000114\n-0.000554 8.658611 0.000017\n0.000123 0.000038 8.600184\nLi V Sn O\n8 12 4 32\ndirect\n0.004867 0.004646 0.003008 Li\n0.245767 0.244884 0.245145 Li\n0.254128 0.755211 0.745218 Li\n0.495100 0.995321 0.502948 Li\n0.504916 0.495324 0.997086 Li\n0.745830 0.255204 0.754842 Li\n0.754174 0.744926 0.254795 Li\n0.995084 0.504600 0.497013 Li\n0.116404 0.132595 0.623839 V\n0.123213 0.382612 0.866652 V\n0.135763 0.625557 0.118868 V\n0.364331 0.374614 0.618922 V\n0.376884 0.617546 0.366631 V\n0.383470 0.867564 0.123906 V\n0.616433 0.367469 0.376134 V\n0.623165 0.117324 0.133412 V\n0.635779 0.874578 0.881126 V\n0.864288 0.125448 0.381068 V\n0.876860 0.882458 0.633361 V\n0.883688 0.632438 0.876263 V\n0.125005 0.874235 0.376305 Sn\n0.374977 0.125693 0.876299 Sn\n0.624916 0.625636 0.623590 Sn\n0.874987 0.374341 0.123646 Sn\n0.106961 0.118690 0.391986 O\n0.119019 0.899160 0.618804 O\n0.105609 0.620225 0.879616 O\n0.129272 0.147224 0.859309 O\n0.118119 0.384982 0.103079 O\n0.130727 0.363430 0.629864 O\n0.132399 0.633411 0.352283 O\n0.154840 0.868347 0.130729 O\n0.344959 0.131844 0.630703 O\n0.367666 0.366473 0.852289 O\n0.369480 0.636735 0.129882 O\n0.381914 0.615163 0.603139 O\n0.370830 0.852942 0.359242 O\n0.394331 0.379874 0.379523 O\n0.380778 0.100654 0.118961 O\n0.392926 0.881265 0.891946 O\n0.607059 0.381296 0.608035 O\n0.619057 0.600783 0.381206 O\n0.605790 0.879652 0.120321 O\n0.629187 0.352681 0.140715 O\n0.618127 0.115143 0.896950 O\n0.630645 0.136567 0.370094 O\n0.632370 0.866544 0.647767 O\n0.654982 0.631747 0.869341 O\n0.844991 0.368225 0.369268 O\n0.867663 0.133469 0.147712 O\n0.869394 0.863398 0.870094 O\n0.881800 0.884910 0.396913 O\n0.870829 0.647087 0.640680 O\n0.894368 0.120022 0.620480 O\n0.880879 0.399252 0.881092 O\n0.893004 0.618716 0.108037 O\n","nsites":56,"nelements":4,"elements":["Li","V","Sn","O"],"chemical_system":"Li-O-Sn-V","density":4.305059995922154,"density_atomic":0.08779613203619209,"volume":637.8413114704779,"volume_molar":6.859232428961108,"formula_full":"Li8 V12 Sn4 O32","formula_reduced":"Li2V3SnO8","formula_anonymous":"AB2C3D8","energy":-433.56195567,"energy_per_atom":-7.742177779821428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.17795567,"band_gap":1.1949,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0001022,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.057000Z","spacegroup":96},{"id":"mp-818167","created_at":"2022-09-04T14:44:54.954683Z","structure_string":"Li2 Mn2 P2 O8 F2\n1.0\n5.196866 0.000000 0.000000\n-0.766618 5.280096 0.000000\n-1.830403 -2.685228 6.641420\nLi Mn P O F\n2 2 2 8 2\ndirect\n0.919672 0.191460 0.189005 Li\n0.080328 0.808540 0.810995 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.444527 0.593369 0.762695 P\n0.555473 0.406631 0.237305 P\n0.719344 0.671337 0.083028 O\n0.646939 0.000162 0.340820 O\n0.353061 0.999838 0.659180 O\n0.636243 0.405992 0.385877 O\n0.280656 0.328663 0.916972 O\n0.363757 0.594008 0.614123 O\n0.243288 0.545087 0.117571 O\n0.756712 0.454913 0.882429 O\n0.122810 0.812054 0.263098 F\n0.877190 0.187946 0.736902 F\n","nsites":16,"nelements":5,"elements":["Li","Mn","P","O","F"],"chemical_system":"F-Li-Mn-O-P","density":3.2046030681962225,"density_atomic":0.08779619602237015,"volume":182.24024188842142,"volume_molar":6.859227429928263,"formula_full":"Li2 Mn2 P2 O8 F2","formula_reduced":"LiMnPO4F","formula_anonymous":"ABCDE4","energy":-21.56902102,"energy_per_atom":-1.34806381375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.58902102,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9298096,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.257000Z","spacegroup":2},{"id":"mp-758378","created_at":"2022-09-04T14:45:21.336221Z","structure_string":"V8 Ni4 H24 N8 O24\n1.0\n5.653584 0.000000 0.000000\n0.000000 11.139520 0.000000\n0.000000 0.000000 12.298208\nV Ni H N O\n8 4 24 8 24\ndirect\n0.191076 0.532057 0.167157 V\n0.191076 0.967943 0.167157 V\n0.308924 0.467943 0.667157 V\n0.308924 0.032057 0.667157 V\n0.691076 0.532057 0.332843 V\n0.691076 0.967943 0.332843 V\n0.808924 0.032057 0.832843 V\n0.808924 0.467943 0.832843 V\n0.021235 0.250000 0.039365 Ni\n0.478765 0.750000 0.539365 Ni\n0.521235 0.250000 0.460635 Ni\n0.978765 0.750000 0.960635 Ni\n0.020829 0.750000 0.455451 H\n0.064118 0.250000 0.392331 H\n0.206152 0.676795 0.380732 H\n0.206152 0.823205 0.380732 H\n0.228855 0.177933 0.305475 H\n0.228855 0.322067 0.305475 H\n0.271145 0.822067 0.805475 H\n0.271145 0.677933 0.805475 H\n0.293848 0.323205 0.880732 H\n0.293848 0.176795 0.880732 H\n0.435882 0.750000 0.892331 H\n0.479171 0.250000 0.955451 H\n0.520829 0.750000 0.044549 H\n0.564118 0.250000 0.107669 H\n0.706152 0.676795 0.119268 H\n0.706152 0.823205 0.119268 H\n0.728855 0.177933 0.194525 H\n0.728855 0.322067 0.194525 H\n0.771145 0.677933 0.694525 H\n0.771145 0.822067 0.694525 H\n0.793848 0.176795 0.619268 H\n0.793848 0.323205 0.619268 H\n0.935882 0.750000 0.607669 H\n0.979171 0.250000 0.544549 H\n0.193142 0.750000 0.430399 N\n0.227198 0.250000 0.356895 N\n0.272802 0.750000 0.856895 N\n0.306858 0.250000 0.930399 N\n0.693142 0.750000 0.069601 N\n0.727198 0.250000 0.143105 N\n0.772802 0.750000 0.643105 N\n0.806858 0.250000 0.569601 N\n0.979084 0.566686 0.273757 O\n0.979084 0.933314 0.273757 O\n0.142051 0.619321 0.058993 O\n0.142051 0.880679 0.058993 O\n0.174312 0.114755 0.135430 O\n0.174312 0.385245 0.135430 O\n0.325688 0.614755 0.635430 O\n0.325688 0.885245 0.635430 O\n0.357949 0.119321 0.558993 O\n0.357949 0.380679 0.558993 O\n0.520916 0.066686 0.773757 O\n0.520916 0.433314 0.773757 O\n0.479084 0.566686 0.226243 O\n0.479084 0.933314 0.226243 O\n0.642051 0.619321 0.441007 O\n0.642051 0.880679 0.441007 O\n0.674312 0.114755 0.364570 O\n0.674312 0.385245 0.364570 O\n0.825688 0.614755 0.864570 O\n0.825688 0.885245 0.864570 O\n0.857949 0.119321 0.941007 O\n0.857949 0.380679 0.941007 O\n0.020916 0.066686 0.726243 O\n0.020916 0.433314 0.726243 O\n","nsites":68,"nelements":5,"elements":["V","Ni","H","N","O"],"chemical_system":"H-N-Ni-O-V","density":2.4924307923984075,"density_atomic":0.08779640877905556,"volume":774.519151132089,"volume_molar":6.859210807989931,"formula_full":"V8 Ni4 H24 N8 O24","formula_reduced":"V2NiH6(NO3)2","formula_anonymous":"AB2C2D6E6","energy":-455.13488278,"energy_per_atom":-6.693160040882353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-411.99488278,"band_gap":2.206,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9990961,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.933000Z","spacegroup":62},{"id":"mp-759198","created_at":"2022-09-04T14:48:23.855901Z","structure_string":"Li4 Ag2 F6\n1.0\n2.753984 -4.600808 0.000000\n2.753984 4.600808 0.000000\n0.000000 0.000000 5.393580\nLi Ag F\n4 2 6\ndirect\n0.832994 0.167006 0.000000 Li\n0.832994 0.167006 0.500000 Li\n0.167006 0.832994 0.000000 Li\n0.167006 0.832994 0.500000 Li\n0.467900 0.467900 0.750000 Ag\n0.532100 0.532100 0.250000 Ag\n0.517825 0.098979 0.250000 F\n0.058398 0.058398 0.750000 F\n0.901021 0.482175 0.750000 F\n0.098979 0.517825 0.250000 F\n0.941602 0.941602 0.250000 F\n0.482175 0.901021 0.750000 F\n","nsites":12,"nelements":3,"elements":["Li","Ag","F"],"chemical_system":"Ag-F-Li","density":4.343215190147743,"density_atomic":0.08779678301202752,"volume":136.6792676031887,"volume_molar":6.859181570667584,"formula_full":"Li4 Ag2 F6","formula_reduced":"Li2AgF3","formula_anonymous":"AB2C3","energy":-53.9947038,"energy_per_atom":-4.49955865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.222703800000005,"band_gap":1.8653,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.93e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:04.676000Z","spacegroup":63},{"id":"mp-1017511","created_at":"2022-09-04T14:47:15.556631Z","structure_string":"Cr3 Fe1\n1.0\n-1.752996 1.752996 3.706446\n1.752996 -1.752996 3.706446\n1.752996 1.752996 -3.706446\nCr Fe\n3 1\ndirect\n0.500000 0.500000 0.000000 Cr\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n","nsites":4,"nelements":2,"elements":["Cr","Fe"],"chemical_system":"Cr-Fe","density":7.720826807948076,"density_atomic":0.0877971609508284,"volume":45.5595597474984,"volume_molar":6.859152044076635,"formula_full":"Cr3 Fe1","formula_reduced":"Cr3Fe","formula_anonymous":"AB3","energy":-36.34826247,"energy_per_atom":-9.0870656175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.34826247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5209509,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.261000Z","spacegroup":139},{"id":"mp-1193227","created_at":"2022-09-04T14:43:08.956862Z","structure_string":"Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n","nsites":28,"nelements":1,"elements":["Co"],"chemical_system":"Co","density":8.591919137745206,"density_atomic":0.0877972871891984,"volume":318.91645968128284,"volume_molar":6.859142181719821,"formula_full":"Co28","formula_reduced":"Co","formula_anonymous":"A","energy":-195.49535593,"energy_per_atom":-6.9819769974999994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.49535593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.495207,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.629000Z","spacegroup":136},{"id":"mp-1331554","created_at":"2022-09-04T14:39:15.757388Z","structure_string":"Ca8 Co16 O32\n1.0\n3.010193 5.404088 0.000000\n-3.010193 5.404088 0.000000\n0.000000 4.291359 19.604646\nCa Co O\n8 16 32\ndirect\n0.651861 0.651861 0.028356 Ca\n0.124944 0.124944 0.125519 Ca\n0.903426 0.903426 0.285171 Ca\n0.372423 0.372423 0.374593 Ca\n0.624284 0.624284 0.625505 Ca\n0.505225 0.505225 0.495832 Ca\n0.878340 0.878340 0.875064 Ca\n0.746468 0.746468 0.753265 Ca\n0.627823 0.120293 0.125238 Co\n0.249198 0.249198 0.249672 Co\n0.120293 0.627823 0.125238 Co\n0.147631 0.147631 0.535765 Co\n0.887532 0.369699 0.373289 Co\n0.612971 0.612971 0.222421 Co\n0.395900 0.395900 0.783946 Co\n0.369699 0.887532 0.373289 Co\n0.125882 0.624469 0.624943 Co\n0.853995 0.853995 0.467300 Co\n0.624469 0.125882 0.624943 Co\n0.878694 0.363903 0.875491 Co\n0.363903 0.878694 0.875491 Co\n0.103150 0.103150 0.715288 Co\n0.996898 0.996898 0.002680 Co\n0.363435 0.363435 0.972321 Co\n0.249241 0.811160 0.061442 O\n0.918040 0.918040 0.175956 O\n0.811160 0.249241 0.061442 O\n0.833440 0.833440 0.068477 O\n0.419202 0.419202 0.183612 O\n0.498054 0.067864 0.308468 O\n0.442791 0.979205 0.190480 O\n0.169654 0.169654 0.434813 O\n0.067864 0.498054 0.308468 O\n0.329591 0.329591 0.070985 O\n0.090784 0.090784 0.316935 O\n0.979205 0.442791 0.190480 O\n0.804783 0.284349 0.567580 O\n0.701999 0.701999 0.422793 O\n0.722981 0.189169 0.427274 O\n0.418128 0.418128 0.683638 O\n0.284349 0.804783 0.567580 O\n0.581652 0.581652 0.321329 O\n0.311222 0.311222 0.570565 O\n0.189169 0.722981 0.427274 O\n0.939934 0.939934 0.678769 O\n0.059041 0.524603 0.821211 O\n0.967569 0.445125 0.681636 O\n0.668919 0.668919 0.920140 O\n0.524603 0.059041 0.821211 O\n0.831354 0.831354 0.565612 O\n0.546954 0.546954 0.822719 O\n0.445125 0.967569 0.681636 O\n0.164090 0.164090 0.936293 O\n0.188908 0.732465 0.942766 O\n0.079232 0.079232 0.815025 O\n0.732465 0.188908 0.942766 O\n","nsites":56,"nelements":3,"elements":["Ca","Co","O"],"chemical_system":"Ca-Co-O","density":4.622456212925551,"density_atomic":0.08779752486925016,"volume":637.8311926605713,"volume_molar":6.85912361307257,"formula_full":"Ca8 Co16 O32","formula_reduced":"Ca(CoO2)2","formula_anonymous":"AB2C4","energy":-385.8683048,"energy_per_atom":-6.890505442857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-337.6763048,"band_gap":0.5097,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9997313,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.897000Z","spacegroup":8},{"id":"mp-16495","created_at":"2022-09-04T14:48:21.679763Z","structure_string":"Al1 Cr1 Fe2\n1.0\n3.471842 0.000000 2.004469\n1.157281 3.273284 2.004469\n0.000000 0.000000 4.008937\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n","nsites":4,"nelements":3,"elements":["Al","Cr","Fe"],"chemical_system":"Al-Cr-Fe","density":6.9494944697964165,"density_atomic":0.08779850472731106,"volume":45.5588624478674,"volume_molar":6.859047063163391,"formula_full":"Al1 Cr1 Fe2","formula_reduced":"AlCrFe2","formula_anonymous":"ABC2","energy":-30.99552946,"energy_per_atom":-7.748882365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.99552946,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.997566,"is_theoretical":false,"updated_at":"2021-11-28T01:39:31.449000Z","spacegroup":225},{"id":"mp-26684","created_at":"2022-09-04T14:46:53.803120Z","structure_string":"Li6 Cr4 P10 O36\n1.0\n6.467339 0.000000 0.000000\n-0.245237 9.443105 0.000000\n-0.484926 -1.107346 10.443772\nLi Cr P O\n6 4 10 36\ndirect\n0.005940 0.058425 0.868394 Li\n0.994060 0.941575 0.131606 Li\n0.867857 0.780537 0.335855 Li\n0.454270 0.725730 0.399051 Li\n0.545730 0.274270 0.600949 Li\n0.132143 0.219463 0.664145 Li\n0.324256 0.777119 0.950746 Cr\n0.767553 0.640481 0.593638 Cr\n0.232447 0.359519 0.406362 Cr\n0.675744 0.222881 0.049254 Cr\n0.272624 0.591414 0.645306 P\n0.181695 0.580175 0.173888 P\n0.830026 0.727650 0.897305 P\n0.766327 0.975728 0.600707 P\n0.478642 0.045178 0.799462 P\n0.233673 0.024272 0.399293 P\n0.169974 0.272350 0.102695 P\n0.818305 0.419825 0.826112 P\n0.727376 0.408586 0.354694 P\n0.521358 0.954822 0.200538 P\n0.368684 0.237838 0.037773 O\n0.575482 0.943413 0.687070 O\n0.336037 0.921506 0.102244 O\n0.037784 0.978000 0.317004 O\n0.962216 0.022000 0.682996 O\n0.663963 0.078494 0.897756 O\n0.424518 0.056587 0.312930 O\n0.689662 0.049934 0.150077 O\n0.712808 0.102399 0.528358 O\n0.396333 0.173065 0.741617 O\n0.218857 0.168668 0.482012 O\n0.986623 0.180351 0.037619 O\n0.189198 0.251378 0.244811 O\n0.996029 0.321769 0.803175 O\n0.900998 0.568781 0.905617 O\n0.667297 0.364632 0.919306 O\n0.930669 0.360058 0.419286 O\n0.538543 0.345228 0.420476 O\n0.271885 0.427363 0.601084 O\n0.287192 0.897601 0.471642 O\n0.719937 0.459994 0.696737 O\n0.099002 0.431219 0.094383 O\n0.310338 0.950066 0.849923 O\n0.280063 0.540006 0.303263 O\n0.289787 0.632824 0.789906 O\n0.728115 0.572637 0.398916 O\n0.461457 0.654772 0.579524 O\n0.069331 0.639942 0.580714 O\n0.332703 0.635368 0.080694 O\n0.631316 0.762162 0.962227 O\n0.003971 0.678231 0.196825 O\n0.810802 0.748622 0.755189 O\n0.013377 0.819649 0.962381 O\n0.781143 0.831332 0.517988 O\n0.603667 0.826935 0.258383 O\n0.710213 0.367176 0.210094 O\n","nsites":56,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.955831448274489,"density_atomic":0.0877991274969383,"volume":637.8195501083176,"volume_molar":6.8589984111288596,"formula_full":"Li6 Cr4 P10 O36","formula_reduced":"Li3Cr2P5O18","formula_anonymous":"A2B3C5D18","energy":-421.92070283,"energy_per_atom":-7.5342982648214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.19270283,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.1374032,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.248000Z","spacegroup":2}]}