{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=26","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=24","results":[{"id":"mp-1246675","created_at":"2022-09-04T14:39:05.948562Z","structure_string":"Ba6 Os6 N10\n1.0\n5.900813 -0.233090 -0.275478\n-0.954017 8.166749 0.054341\n-2.338148 -3.237558 8.912254\nBa Os N\n6 6 10\ndirect\n0.771553 0.422757 0.603485 Ba\n0.228447 0.577243 0.396515 Ba\n0.632677 0.837736 0.902446 Ba\n0.367323 0.162264 0.097554 Ba\n0.710277 0.737790 0.251225 Ba\n0.289723 0.262210 0.748775 Ba\n0.894569 0.343485 0.987047 Os\n0.105431 0.656515 0.012953 Os\n0.622123 0.963586 0.623508 Os\n0.377877 0.036414 0.376492 Os\n0.037266 0.838137 0.690066 Os\n0.962734 0.161863 0.309934 Os\n0.724372 0.153814 0.806737 N\n0.275628 0.846186 0.193263 N\n0.707986 0.734626 0.539349 N\n0.292014 0.265374 0.460651 N\n0.758314 0.517503 0.898133 N\n0.241686 0.482497 0.101867 N\n0.292150 0.894070 0.625304 N\n0.707850 0.105930 0.374696 N\n0.081288 0.792199 0.869160 N\n0.918712 0.207801 0.130840 N\n","nsites":22,"nelements":3,"elements":["Ba","Os","N"],"chemical_system":"Ba-N-Os","density":8.275601514565874,"density_atomic":0.05207588732903506,"volume":422.4603963249962,"volume_molar":11.564163509975062,"formula_full":"Ba6 Os6 N10","formula_reduced":"Ba3Os3N5","formula_anonymous":"A3B3C5","energy":-169.43279844000003,"energy_per_atom":-7.70149083818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.82279844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000451,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.309000Z","spacegroup":2},{"id":"mp-1202830","created_at":"2022-09-04T14:39:05.950724Z","structure_string":"Mg4 B8 H32\n1.0\n0.000000 6.207089 6.207089\n6.207089 0.000000 6.207089\n6.207089 6.207089 0.000000\nMg B H\n4 8 32\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.924000 0.358667 0.358667 B\n0.358667 0.924000 0.358667 B\n0.358667 0.358667 0.924000 B\n0.358667 0.358667 0.358667 B\n0.326000 0.891333 0.891333 B\n0.891333 0.326000 0.891333 B\n0.891333 0.891333 0.326000 B\n0.891333 0.891333 0.891333 B\n0.750793 0.416402 0.416402 H\n0.416402 0.750793 0.416402 H\n0.416402 0.416402 0.750793 H\n0.416402 0.416402 0.416402 H\n0.499207 0.833598 0.833598 H\n0.833598 0.499207 0.833598 H\n0.833598 0.833598 0.499207 H\n0.833598 0.833598 0.833598 H\n0.494959 0.265597 0.265597 H\n0.265597 0.494959 0.973847 H\n0.265597 0.973847 0.494959 H\n0.973847 0.265597 0.265597 H\n0.265597 0.265597 0.494959 H\n0.494959 0.973847 0.265597 H\n0.973847 0.494959 0.265597 H\n0.265597 0.265597 0.973847 H\n0.265597 0.494959 0.265597 H\n0.973847 0.265597 0.494959 H\n0.494959 0.265597 0.973847 H\n0.265597 0.973847 0.265597 H\n0.755041 0.984403 0.984403 H\n0.984403 0.755041 0.276153 H\n0.984403 0.276153 0.755041 H\n0.276153 0.984403 0.984403 H\n0.984403 0.984403 0.755041 H\n0.755041 0.276153 0.984403 H\n0.276153 0.755041 0.984403 H\n0.984403 0.984403 0.276153 H\n0.984403 0.755041 0.984403 H\n0.276153 0.984403 0.755041 H\n0.755041 0.984403 0.276153 H\n0.984403 0.276153 0.984403 H\n","nsites":44,"nelements":3,"elements":["Mg","B","H"],"chemical_system":"B-H-Mg","density":0.7497779872967872,"density_atomic":0.09199384332272105,"volume":478.2928771183613,"volume_molar":6.546243251163988,"formula_full":"Mg4 B8 H32","formula_reduced":"Mg(BH4)2","formula_anonymous":"AB2C8","energy":-178.37940918,"energy_per_atom":-4.054077481363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.65140918,"band_gap":3.8202,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0080719,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.603000Z","spacegroup":227},{"id":"mp-1206916","created_at":"2022-09-04T14:39:05.955421Z","structure_string":"Tl2 Fe1 S2\n1.0\n6.233084 0.000000 0.000000\n0.000000 6.233084 0.000000\n-3.116542 -3.116542 4.043655\nTl Fe S\n2 1 2\ndirect\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.000000 0.000000 0.000000 Fe\n0.262908 0.262908 0.525817 S\n0.737092 0.737092 0.474183 S\n","nsites":5,"nelements":3,"elements":["Tl","Fe","S"],"chemical_system":"Fe-S-Tl","density":5.588722218281918,"density_atomic":0.03182657831222659,"volume":157.10139968389834,"volume_molar":18.921734849789107,"formula_full":"Tl2 Fe1 S2","formula_reduced":"Tl2FeS2","formula_anonymous":"AB2C2","energy":-22.2534403,"energy_per_atom":-4.45068806,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.2474403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.6550986,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.466000Z","spacegroup":139},{"id":"mp-30194","created_at":"2022-09-04T14:39:05.955745Z","structure_string":"Rb12 Co4 O8\n1.0\n6.288746 0.000000 0.000000\n0.000000 7.825803 0.000000\n0.000000 0.000000 12.438482\nRb Co O\n12 4 8\ndirect\n0.776613 0.750000 0.899483 Rb\n0.276613 0.250000 0.600517 Rb\n0.223387 0.250000 0.100517 Rb\n0.723387 0.750000 0.399483 Rb\n0.318301 0.500871 0.862364 Rb\n0.818301 0.499129 0.637636 Rb\n0.681699 0.000871 0.137636 Rb\n0.181699 0.999129 0.362364 Rb\n0.681699 0.499129 0.137636 Rb\n0.181699 0.500871 0.362364 Rb\n0.318301 0.999129 0.862364 Rb\n0.818301 0.000871 0.637636 Rb\n0.306248 0.750000 0.618910 Co\n0.193752 0.750000 0.118910 Co\n0.806248 0.250000 0.881090 Co\n0.693752 0.250000 0.381090 Co\n0.587450 0.250000 0.970725 O\n0.087450 0.750000 0.529275 O\n0.412550 0.750000 0.029275 O\n0.912550 0.250000 0.470725 O\n0.015930 0.250000 0.785725 O\n0.484070 0.250000 0.285725 O\n0.515930 0.750000 0.714275 O\n0.984070 0.750000 0.214275 O\n","nsites":24,"nelements":3,"elements":["Rb","Co","O"],"chemical_system":"Co-O-Rb","density":3.7687539407748183,"density_atomic":0.03920585184644468,"volume":612.1535145824514,"volume_molar":15.360310964767645,"formula_full":"Rb12 Co4 O8","formula_reduced":"Rb3CoO2","formula_anonymous":"AB2C3","energy":-108.47837764,"energy_per_atom":-4.519932401666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.43037764000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.774000Z","spacegroup":62},{"id":"mp-1072286","created_at":"2022-09-04T14:39:05.957248Z","structure_string":"Y2 Sn2 Au2\n1.0\n2.363522 -4.093741 0.000000\n2.363522 4.093741 0.000000\n0.000000 0.000000 7.442732\nY Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n","nsites":6,"nelements":3,"elements":["Y","Sn","Au"],"chemical_system":"Au-Sn-Y","density":9.329185130988295,"density_atomic":0.04165900203463295,"volume":144.02649384188172,"volume_molar":14.455796984751416,"formula_full":"Y2 Sn2 Au2","formula_reduced":"YSnAu","formula_anonymous":"ABC","energy":-31.94670022,"energy_per_atom":-5.324450036666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.94670022,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0715606,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.229000Z","spacegroup":194},{"id":"mp-1042052","created_at":"2022-09-04T14:39:05.959564Z","structure_string":"Ca2 P4 W2 O14\n1.0\n6.000588 0.000000 0.000000\n2.349705 6.373598 0.000000\n0.471028 1.252596 7.797802\nCa P W O\n2 4 2 14\ndirect\n0.310766 0.676979 0.653355 Ca\n0.689234 0.323021 0.346645 Ca\n0.163385 0.660148 0.119009 P\n0.836615 0.339852 0.880991 P\n0.220596 0.220176 0.616915 P\n0.779404 0.779824 0.383085 P\n0.284186 0.126826 0.165782 W\n0.715814 0.873174 0.834218 W\n0.082320 0.716590 0.929755 O\n0.917680 0.283410 0.070245 O\n0.257418 0.815542 0.178959 O\n0.742582 0.184458 0.821041 O\n0.343412 0.431536 0.157349 O\n0.656588 0.568464 0.842651 O\n0.623976 0.646328 0.449405 O\n0.376024 0.353672 0.550595 O\n0.051508 0.206464 0.488928 O\n0.948492 0.793536 0.511072 O\n0.073023 0.345671 0.771014 O\n0.629810 0.006778 0.294710 O\n0.370190 0.993222 0.705290 O\n0.926977 0.654329 0.228986 O\n","nsites":22,"nelements":4,"elements":["Ca","P","W","O"],"chemical_system":"Ca-O-P-W","density":4.4305754440893566,"density_atomic":0.0737686779513628,"volume":298.2295550220522,"volume_molar":8.163547086977104,"formula_full":"Ca2 P4 W2 O14","formula_reduced":"CaP2WO7","formula_anonymous":"ABC2D7","energy":-177.11303504,"energy_per_atom":-8.050592501818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.61903504,"band_gap":1.4447,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9995442,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.088000Z","spacegroup":2},{"id":"mp-1209708","created_at":"2022-09-04T14:39:05.966989Z","structure_string":"Pr16 Mg4 Ni4\n1.0\n0.000000 7.098718 7.098718\n7.098718 0.000000 7.098718\n7.098718 7.098718 0.000000\nPr Mg Ni\n16 4 4\ndirect\n0.810567 0.189433 0.189433 Pr\n0.189433 0.810567 0.810567 Pr\n0.189433 0.810567 0.189433 Pr\n0.810567 0.189433 0.810567 Pr\n0.189433 0.189433 0.810567 Pr\n0.810567 0.810567 0.189433 Pr\n0.935574 0.564426 0.564426 Pr\n0.564426 0.935574 0.935574 Pr\n0.564426 0.935574 0.564426 Pr\n0.935574 0.564426 0.935574 Pr\n0.564426 0.564426 0.935574 Pr\n0.935574 0.935574 0.564426 Pr\n0.345520 0.345520 0.345520 Pr\n0.345520 0.345520 0.963439 Pr\n0.345520 0.963439 0.345520 Pr\n0.963439 0.345520 0.345520 Pr\n0.578934 0.578934 0.578934 Mg\n0.578934 0.578934 0.263198 Mg\n0.578934 0.263198 0.578934 Mg\n0.263198 0.578934 0.578934 Mg\n0.141764 0.141764 0.141764 Ni\n0.141764 0.141764 0.574708 Ni\n0.141764 0.574708 0.141764 Ni\n0.574708 0.141764 0.141764 Ni\n","nsites":24,"nelements":3,"elements":["Pr","Mg","Ni"],"chemical_system":"Mg-Ni-Pr","density":6.003361547792376,"density_atomic":0.03354605650517149,"volume":715.4343162899083,"volume_molar":17.951858988467453,"formula_full":"Pr16 Mg4 Ni4","formula_reduced":"Pr4MgNi","formula_anonymous":"ABC4","energy":-109.57258181999998,"energy_per_atom":-4.5655242424999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.57258181999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003294,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.268000Z","spacegroup":216},{"id":"mp-1208995","created_at":"2022-09-04T14:39:05.970693Z","structure_string":"Sc2 Tl6 F12\n1.0\n6.543600 0.000000 0.000000\n0.000000 6.543600 0.000000\n0.000000 0.000000 9.452049\nSc Tl F\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.500000 0.250000 Tl\n0.000000 0.500000 0.750000 Tl\n0.500000 0.000000 0.250000 Tl\n0.500000 0.000000 0.750000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.141679 0.278100 0.000000 F\n0.858321 0.721900 0.000000 F\n0.721900 0.141679 0.000000 F\n0.358321 0.778100 0.500000 F\n0.278100 0.858321 0.000000 F\n0.641679 0.221900 0.500000 F\n0.778100 0.641679 0.500000 F\n0.221900 0.358321 0.500000 F\n0.000000 0.000000 0.215964 F\n0.000000 0.000000 0.784036 F\n0.500000 0.500000 0.284036 F\n0.500000 0.500000 0.715964 F\n","nsites":20,"nelements":3,"elements":["Sc","Tl","F"],"chemical_system":"F-Sc-Tl","density":6.335648487270514,"density_atomic":0.04941633629024424,"volume":404.72445959026703,"volume_molar":12.1865383233376,"formula_full":"Sc2 Tl6 F12","formula_reduced":"ScTl3F6","formula_anonymous":"AB3C6","energy":-108.35590239,"energy_per_atom":-5.4177951195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.81190239,"band_gap":3.6697,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028129,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.781000Z","spacegroup":128},{"id":"mp-1293053","created_at":"2022-09-04T14:39:05.973342Z","structure_string":"Mg4 Mn4 Si4 O20\n1.0\n6.404023 -0.007668 -0.007452\n2.895212 -6.301781 -0.014222\n0.008172 -0.013309 -8.316123\nMg Mn Si O\n4 4 4 20\ndirect\n0.250762 0.238360 0.920892 Mg\n0.750804 0.238329 0.420891 Mg\n0.251745 0.742363 0.580575 Mg\n0.751766 0.742321 0.080573 Mg\n0.750159 0.494022 0.750735 Mn\n0.249724 0.994135 0.250375 Mn\n0.250170 0.493963 0.250746 Mn\n0.749679 0.993991 0.750370 Mn\n0.249817 0.243509 0.570970 Si\n0.749821 0.243510 0.070971 Si\n0.249376 0.744186 0.929859 Si\n0.749388 0.744189 0.429861 Si\n0.250296 0.743457 0.338826 O\n0.750282 0.743468 0.838819 O\n0.250084 0.244404 0.162658 O\n0.750069 0.244416 0.662652 O\n0.133839 0.118219 0.459897 O\n0.633824 0.118244 0.959895 O\n0.368992 0.366809 0.459515 O\n0.868969 0.366827 0.959515 O\n0.363838 0.872315 0.039640 O\n0.863825 0.872343 0.539636 O\n0.131068 0.621544 0.042427 O\n0.631048 0.621566 0.542424 O\n0.431831 0.575613 0.803535 O\n0.931879 0.575601 0.303572 O\n0.069538 0.909356 0.799803 O\n0.569560 0.909325 0.299773 O\n0.068768 0.411958 0.698114 O\n0.568813 0.411952 0.198153 O\n0.430254 0.076564 0.699887 O\n0.930271 0.076540 0.199863 O\n","nsites":32,"nelements":4,"elements":["Mg","Mn","Si","O"],"chemical_system":"Mg-Mn-O-Si","density":3.7094512424436887,"density_atomic":0.0954011372322877,"volume":335.4257708908094,"volume_molar":6.312441271362391,"formula_full":"Mg4 Mn4 Si4 O20","formula_reduced":"MgMnSiO5","formula_anonymous":"ABCD5","energy":-247.59867165,"energy_per_atom":-7.7374584890625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.18667165,"band_gap":0.9419,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0011909,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.484000Z","spacegroup":9},{"id":"mp-1077071","created_at":"2022-09-04T14:39:05.973715Z","structure_string":"Gd1 Co5\n1.0\n2.470196 -4.278505 0.000000\n2.470196 4.278505 0.000000\n0.000000 0.000000 3.942933\nGd Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Gd\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n","nsites":6,"nelements":2,"elements":["Gd","Co"],"chemical_system":"Co-Gd","density":9.00396794272367,"density_atomic":0.07199103200768407,"volume":83.34371424706873,"volume_molar":8.365126310951089,"formula_full":"Gd1 Co5","formula_reduced":"GdCo5","formula_anonymous":"AB5","energy":-50.0548349,"energy_per_atom":-8.342472483333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.0548349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0615035,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.775000Z","spacegroup":191},{"id":"mp-16228","created_at":"2022-09-04T14:39:05.976798Z","structure_string":"Y2 S4\n1.0\n0.000000 3.914717 3.914717\n3.914717 0.000000 3.914717\n3.914717 3.914717 0.000000\nY S\n2 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.625000 S\n","nsites":6,"nelements":2,"elements":["Y","S"],"chemical_system":"S-Y","density":4.235855750758332,"density_atomic":0.05000577233165463,"volume":119.98614800319528,"volume_molar":12.042891208757247,"formula_full":"Y2 S4","formula_reduced":"YS2","formula_anonymous":"AB2","energy":-31.82222388,"energy_per_atom":-5.30370398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.810223879999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5265556,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.357000Z","spacegroup":227},{"id":"mp-556764","created_at":"2022-09-04T14:39:05.980892Z","structure_string":"K8 U4 Mo4 I8 O48\n1.0\n7.401308 0.000000 0.000000\n0.000000 11.546731 0.000000\n0.000000 4.823123 15.413137\nK U Mo I O\n8 4 4 8 48\ndirect\n0.257711 0.740814 0.142415 K\n0.245149 0.498546 0.452636 K\n0.757711 0.259186 0.357585 K\n0.742289 0.259186 0.857585 K\n0.254851 0.498546 0.952636 K\n0.754851 0.501454 0.547364 K\n0.745149 0.501454 0.047364 K\n0.242289 0.740814 0.642415 K\n0.492542 0.169460 0.140547 U\n0.992542 0.830540 0.359453 U\n0.007458 0.169460 0.640547 U\n0.507458 0.830540 0.859453 U\n0.245977 0.081083 0.446095 Mo\n0.254023 0.081083 0.946095 Mo\n0.754023 0.918917 0.553905 Mo\n0.745977 0.918917 0.053905 Mo\n0.286378 0.404096 0.228173 I\n0.512485 0.177907 0.610394 I\n0.987515 0.177907 0.110394 I\n0.012485 0.822093 0.889606 I\n0.487515 0.822093 0.389606 I\n0.213622 0.404096 0.728173 I\n0.713622 0.595904 0.771827 I\n0.786378 0.595904 0.271827 I\n0.681731 0.780525 0.331265 O\n0.200896 0.782705 0.827150 O\n0.795921 0.915825 0.441817 O\n0.204079 0.084175 0.558183 O\n0.476160 0.108517 0.423276 O\n0.181731 0.219475 0.168735 O\n0.685740 0.489272 0.879058 O\n0.686861 0.068415 0.067741 O\n0.818269 0.780525 0.831265 O\n0.523840 0.891483 0.576724 O\n0.387392 0.490390 0.294094 O\n0.486921 0.035259 0.234967 O\n0.299104 0.782705 0.327150 O\n0.513079 0.964741 0.765033 O\n0.814260 0.489272 0.379058 O\n0.379252 0.198333 0.874625 O\n0.186861 0.931585 0.432259 O\n0.112608 0.490390 0.794094 O\n0.001608 0.303514 0.545388 O\n0.887392 0.509610 0.205906 O\n0.620748 0.801667 0.125375 O\n0.986921 0.964741 0.265033 O\n0.700896 0.217295 0.672850 O\n0.704079 0.915825 0.941817 O\n0.120748 0.198333 0.374625 O\n0.498392 0.303514 0.045388 O\n0.318269 0.219475 0.668735 O\n0.185740 0.510728 0.620942 O\n0.813139 0.068415 0.567741 O\n0.013079 0.035259 0.734967 O\n0.018942 0.300319 0.728312 O\n0.879252 0.801667 0.625375 O\n0.518942 0.699681 0.771688 O\n0.018297 0.688397 0.983015 O\n0.314260 0.510728 0.120942 O\n0.799104 0.217295 0.172850 O\n0.501608 0.696486 0.954612 O\n0.981058 0.699681 0.271688 O\n0.976160 0.891483 0.076724 O\n0.998392 0.696486 0.454612 O\n0.481703 0.688397 0.483015 O\n0.313139 0.931585 0.932259 O\n0.023840 0.108517 0.923276 O\n0.981703 0.311603 0.016985 O\n0.295921 0.084175 0.058183 O\n0.612608 0.509610 0.705906 O\n0.518297 0.311603 0.516985 O\n0.481058 0.300319 0.228312 O\n","nsites":72,"nelements":5,"elements":["K","U","Mo","I","O"],"chemical_system":"I-K-Mo-O-U","density":4.326345856224067,"density_atomic":0.054660541782835984,"volume":1317.220752879709,"volume_molar":11.017345535881642,"formula_full":"K8 U4 Mo4 I8 O48","formula_reduced":"K2UMo(IO6)2","formula_anonymous":"ABC2D2E12","energy":-491.88086195,"energy_per_atom":-6.831678638194444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-446.09686195,"band_gap":2.1943,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004265,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.447000Z","spacegroup":14}]}