{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10131","results":[{"id":"mp-780704","created_at":"2022-09-04T14:41:13.053742Z","structure_string":"V6 O8 F4\n1.0\n3.206733 4.599423 0.000000\n-3.206733 4.599423 0.000000\n0.000000 3.145301 6.863284\nV O F\n6 8 4\ndirect\n0.678900 0.678900 0.855558 V\n0.333679 0.333679 0.663153 V\n0.662063 0.662063 0.322896 V\n0.344734 0.344734 0.192066 V\n0.998004 0.998004 0.496054 V\n0.995044 0.995044 0.996266 V\n0.633084 0.025713 0.668350 O\n0.973832 0.365015 0.328625 O\n0.767815 0.767815 0.028799 O\n0.431334 0.431334 0.366930 O\n0.692731 0.306538 0.998824 O\n0.025713 0.633084 0.668350 O\n0.365015 0.973832 0.328625 O\n0.306538 0.692731 0.998824 O\n0.229279 0.229279 0.963619 F\n0.566475 0.566475 0.628666 F\n0.896370 0.896370 0.294569 F\n0.099391 0.099391 0.699829 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.1800610151396835,"density_atomic":0.08890872566955259,"volume":202.45481941672037,"volume_molar":6.77339677815484,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy":-150.27837366,"energy_per_atom":-8.348798536666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.73437366,"band_gap":0.6448,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993711,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.057000Z","spacegroup":8},{"id":"mp-1201891","created_at":"2022-09-04T14:42:54.149293Z","structure_string":"Cu2 S4 N4 O28\n1.0\n0.217754 0.000000 6.470559\n7.959069 0.000000 -2.515615\n0.000000 12.367211 0.000000\nCu S N O\n2 4 4 28\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.805564 0.961127 0.352188 S\n0.194436 0.538873 0.852188 S\n0.194436 0.038873 0.647812 S\n0.805564 0.461127 0.147812 S\n0.380960 0.667156 0.196865 N\n0.619040 0.832844 0.696865 N\n0.619040 0.332844 0.803135 N\n0.380960 0.167156 0.303135 N\n0.380305 0.800999 0.179282 O\n0.619695 0.699001 0.679282 O\n0.619695 0.199001 0.820718 O\n0.380305 0.300999 0.320718 O\n0.767147 0.091152 0.421247 O\n0.232853 0.408848 0.921247 O\n0.232853 0.908848 0.578753 O\n0.767147 0.591152 0.078753 O\n0.600349 0.672348 0.446390 O\n0.399651 0.827652 0.946390 O\n0.399651 0.327652 0.553610 O\n0.600349 0.172348 0.053610 O\n0.012520 0.925565 0.360441 O\n0.987480 0.574435 0.860441 O\n0.987480 0.074435 0.639559 O\n0.012520 0.425565 0.139559 O\n0.161337 0.581351 0.374979 O\n0.838663 0.918649 0.874979 O\n0.838663 0.418649 0.625021 O\n0.161337 0.081351 0.125021 O\n0.074564 0.412690 0.371908 O\n0.925436 0.087310 0.871908 O\n0.925436 0.587310 0.628092 O\n0.074564 0.912690 0.128092 O\n0.321570 0.436434 0.593754 O\n0.678430 0.063566 0.093754 O\n0.678430 0.563566 0.406246 O\n0.321570 0.936434 0.906246 O\n","nsites":38,"nelements":4,"elements":["Cu","S","N","O"],"chemical_system":"Cu-N-O-S","density":1.9589667199428868,"density_atomic":0.0590354253646719,"volume":643.6813110986753,"volume_molar":10.20089331583572,"formula_full":"Cu2 S4 N4 O28","formula_reduced":"CuS2(NO7)2","formula_anonymous":"AB2C2D14","energy":-208.15242488,"energy_per_atom":-5.477695391578948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.64442488,"band_gap":0.0141,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993765,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.560000Z","spacegroup":14},{"id":"mp-1245492","created_at":"2022-09-04T14:45:38.232322Z","structure_string":"Mn2 C4 N4\n1.0\n6.117806 0.000000 0.000000\n0.000000 6.117806 0.000000\n0.000000 0.000000 6.117806\nMn C N\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.803732 0.803732 0.196268 C\n0.803732 0.196268 0.803732 C\n0.196268 0.803732 0.803732 C\n0.196268 0.196268 0.196268 C\n0.693157 0.693157 0.306843 N\n0.693157 0.306843 0.693157 N\n0.306843 0.693157 0.693157 N\n0.306843 0.306843 0.306843 N\n","nsites":10,"nelements":3,"elements":["Mn","C","N"],"chemical_system":"C-Mn-N","density":1.5515491443501623,"density_atomic":0.04367298703966975,"volume":228.97449150699583,"volume_molar":13.789166183045534,"formula_full":"Mn2 C4 N4","formula_reduced":"Mn(CN)2","formula_anonymous":"AB2C2","energy":-87.00283728000001,"energy_per_atom":-8.700283728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.55883728,"band_gap":1.5421,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993775,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.771000Z","spacegroup":215},{"id":"mp-762632","created_at":"2022-09-04T14:45:28.518895Z","structure_string":"Li2 Fe2 Si2 O8\n1.0\n7.808643 -2.598471 0.000000\n7.808643 2.598471 0.000000\n6.943953 0.000000 4.416839\nLi Fe Si O\n2 2 2 8\ndirect\n0.865937 0.865937 0.865937 Li\n0.134063 0.134063 0.134063 Li\n0.266037 0.266037 0.266037 Fe\n0.733963 0.733963 0.733963 Fe\n0.584155 0.584155 0.584155 Si\n0.415845 0.415845 0.415845 Si\n0.534772 0.876638 0.272790 O\n0.123362 0.727210 0.465228 O\n0.876638 0.272790 0.534772 O\n0.465228 0.123362 0.727210 O\n0.727210 0.465228 0.123362 O\n0.655027 0.655027 0.655027 O\n0.344973 0.344973 0.344973 O\n0.272790 0.534772 0.876638 O\n","nsites":14,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":2.8695173887706735,"density_atomic":0.07810755240452434,"volume":179.24002953636347,"volume_molar":7.710062054960988,"formula_full":"Li2 Fe2 Si2 O8","formula_reduced":"LiFeSiO4","formula_anonymous":"ABCD4","energy":-105.71586417,"energy_per_atom":-7.5511331550000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.70786417,"band_gap":2.7147,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993785,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.393000Z","spacegroup":148},{"id":"mp-850191","created_at":"2022-09-04T14:39:40.473481Z","structure_string":"Na1 Li1 Fe2 Si4 O12\n1.0\n4.436774 4.895057 0.000000\n-4.436774 4.895057 0.000000\n0.000000 1.735475 5.074559\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.294045 0.705955 0.500000 Na\n0.746280 0.253720 0.000000 Li\n0.897148 0.102852 0.500000 Fe\n0.100777 0.899223 0.000000 Fe\n0.794092 0.618269 0.501268 Si\n0.616931 0.798059 0.998461 Si\n0.381731 0.205908 0.498732 Si\n0.201941 0.383069 0.001539 Si\n0.963123 0.805383 0.392736 O\n0.800168 0.971904 0.894377 O\n0.886942 0.380845 0.572954 O\n0.649654 0.645542 0.281473 O\n0.381749 0.897724 0.055343 O\n0.640984 0.654151 0.781140 O\n0.354458 0.350346 0.718527 O\n0.619155 0.113058 0.427046 O\n0.345849 0.359016 0.218860 O\n0.102276 0.618251 0.944657 O\n0.194617 0.036877 0.607264 O\n0.028096 0.199832 0.105623 O\n","nsites":20,"nelements":5,"elements":["Na","Li","Fe","Si","O"],"chemical_system":"Fe-Li-Na-O-Si","density":3.359598100195661,"density_atomic":0.09073537391208425,"volume":220.42119999834347,"volume_molar":6.637037464390681,"formula_full":"Na1 Li1 Fe2 Si4 O12","formula_reduced":"NaLiFe2(SiO3)4","formula_anonymous":"ABC2D4E12","energy":-156.02462434,"energy_per_atom":-7.801231217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.26862434,"band_gap":2.430400000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993794,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.273000Z","spacegroup":5},{"id":"mp-1175114","created_at":"2022-09-04T14:44:25.694788Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n1.443693 7.688827 0.000000\n-1.443693 7.688827 0.000000\n0.000000 6.773083 9.676878\nLi Mn Co O\n7 2 3 12\ndirect\n0.336233 0.336233 0.237955 Li\n0.663648 0.663648 0.760451 Li\n0.013891 0.013891 0.235182 Li\n0.322877 0.322877 0.771261 Li\n0.992066 0.992066 0.756801 Li\n0.671184 0.671184 0.242159 Li\n0.666968 0.666968 0.998003 Li\n0.005847 0.005847 0.995341 Mn\n0.336109 0.336109 0.495604 Mn\n0.000578 0.000578 0.504648 Co\n0.317583 0.317583 0.008893 Co\n0.665938 0.665938 0.498288 Co\n0.499176 0.499176 0.888259 O\n0.839049 0.839049 0.383775 O\n0.153646 0.153646 0.882692 O\n0.489325 0.489325 0.390390 O\n0.163033 0.163033 0.387642 O\n0.833760 0.833760 0.885870 O\n0.180184 0.180184 0.600419 O\n0.499231 0.499231 0.111012 O\n0.832330 0.832330 0.609156 O\n0.174377 0.174377 0.125182 O\n0.844673 0.844673 0.108247 O\n0.498296 0.498296 0.622771 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.075397682234781,"density_atomic":0.11171488434388438,"volume":214.83260839372505,"volume_molar":5.390634198270707,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-157.05844872,"energy_per_atom":-6.54410203,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.56444872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993825,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.798000Z","spacegroup":8},{"id":"mp-648167","created_at":"2022-09-04T14:41:10.497929Z","structure_string":"Fe3 C8 Br16 N8\n1.0\n8.088293 0.000000 0.000000\n0.162566 9.455740 0.000000\n0.504566 2.754735 11.878464\nFe C Br N\n3 8 16 8\ndirect\n0.129575 0.750454 0.787229 Fe\n0.870425 0.249546 0.212771 Fe\n0.500000 0.500000 0.500000 Fe\n0.653223 0.188560 0.545591 C\n0.550507 0.165374 0.856649 C\n0.821198 0.635159 0.373379 C\n0.449493 0.834626 0.143351 C\n0.616417 0.528600 0.732900 C\n0.178802 0.364841 0.626621 C\n0.383583 0.471400 0.267100 C\n0.346777 0.811440 0.454409 C\n0.806318 0.488217 0.118721 Br\n0.685543 0.527893 0.870568 Br\n0.752697 0.014307 0.578126 Br\n0.360144 0.151580 0.938499 Br\n0.971877 0.870466 0.903399 Br\n0.977913 0.727034 0.630077 Br\n0.626685 0.120162 0.266522 Br\n0.022087 0.272966 0.369923 Br\n0.314457 0.472107 0.129432 Br\n0.639856 0.848420 0.061501 Br\n0.193682 0.511783 0.881279 Br\n0.247303 0.985693 0.421874 Br\n0.002472 0.718271 0.297744 Br\n0.997528 0.281729 0.702256 Br\n0.373315 0.879838 0.733478 Br\n0.028123 0.129534 0.096601 Br\n0.323067 0.822739 0.195230 N\n0.676933 0.177261 0.804770 N\n0.703401 0.582297 0.423932 N\n0.574939 0.521566 0.643704 N\n0.296599 0.417703 0.576068 N\n0.425061 0.478434 0.356296 N\n0.404933 0.694995 0.472843 N\n0.595067 0.305005 0.527157 N\n","nsites":35,"nelements":4,"elements":["Fe","C","Br","N"],"chemical_system":"Br-C-Fe-N","density":3.0234876950317524,"density_atomic":0.038526127817890284,"volume":908.4743778415004,"volume_molar":15.63131594347126,"formula_full":"Fe3 C8 Br16 N8","formula_reduced":"Fe3C8(Br2N)8","formula_anonymous":"A3B8C8D16","energy":-198.80414036,"energy_per_atom":-5.680118296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.37214036,"band_gap":0.9687,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993829,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.255000Z","spacegroup":2},{"id":"mp-850206","created_at":"2022-09-04T14:40:31.263844Z","structure_string":"V6 O8 F4\n1.0\n5.582956 0.000000 0.000000\n1.677304 5.333728 0.000000\n2.247017 1.545818 6.775891\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.500000 V\n0.202891 0.132230 0.351646 V\n0.500000 0.500000 0.000000 V\n0.151033 0.144674 0.833887 V\n0.848967 0.855326 0.166113 V\n0.797109 0.867770 0.648354 V\n0.195963 0.793119 0.002356 O\n0.064465 0.055936 0.625881 O\n0.392488 0.390459 0.305173 O\n0.935535 0.944064 0.374119 O\n0.607512 0.609541 0.694827 O\n0.475703 0.860838 0.329083 O\n0.804037 0.206881 0.997644 O\n0.524297 0.139162 0.670917 O\n0.877875 0.463675 0.327649 F\n0.737836 0.743932 0.956401 F\n0.262164 0.256068 0.043599 F\n0.122125 0.536325 0.672351 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.1942011970366035,"density_atomic":0.08920948337348023,"volume":201.7722703834305,"volume_molar":6.750561187298876,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy":-150.49941147000004,"energy_per_atom":-8.361078415000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.95541147,"band_gap":0.2166999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993853,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.238000Z","spacegroup":2},{"id":"mp-753527","created_at":"2022-09-04T14:43:59.063210Z","structure_string":"Li4 Mn2 Si4 O12\n1.0\n2.944952 4.952241 0.120581\n-2.944829 4.952172 -0.120764\n-0.222523 -0.000174 9.406897\nLi Mn Si O\n4 2 4 12\ndirect\n0.585488 0.710598 0.882710 Li\n0.289033 0.414248 0.382699 Li\n0.710574 0.585516 0.617287 Li\n0.414296 0.288984 0.117294 Li\n0.254449 0.254460 0.749993 Mn\n0.745857 0.745811 0.249991 Mn\n0.135475 0.803685 0.633305 Si\n0.196651 0.864276 0.133383 Si\n0.803676 0.135488 0.866695 Si\n0.864267 0.196656 0.366623 Si\n0.367395 0.854842 0.702496 O\n0.145502 0.632324 0.202572 O\n0.238462 0.498132 0.585814 O\n0.502079 0.761711 0.085903 O\n0.886536 0.886532 0.750000 O\n0.999678 0.000224 0.500018 O\n0.113395 0.113393 0.250008 O\n0.000185 0.999686 0.000005 O\n0.498133 0.238471 0.914173 O\n0.761663 0.502104 0.414088 O\n0.854851 0.367400 0.797518 O\n0.632353 0.145459 0.297424 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.672278058720119,"density_atomic":0.08010463258461034,"volume":274.64079529685813,"volume_molar":7.517843307800117,"formula_full":"Li4 Mn2 Si4 O12","formula_reduced":"Li2Mn(SiO3)2","formula_anonymous":"AB2C2D6","energy":-168.75030838,"energy_per_atom":-7.670468562727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.17030838,"band_gap":3.3968,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993875,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.894000Z","spacegroup":15},{"id":"mp-780518","created_at":"2022-09-04T14:40:17.439221Z","structure_string":"Li10 Ni8 O16\n1.0\n2.864335 5.240477 -0.000619\n5.744365 -0.008492 0.001217\n-0.002177 0.001824 -9.626783\nLi Ni O\n10 8 16\ndirect\n0.972949 0.011145 0.485308 Li\n0.027393 0.983926 0.985136 Li\n0.198302 0.184801 0.558439 Li\n0.353523 0.323231 0.782307 Li\n0.594325 0.203702 0.545060 Li\n0.203624 0.618825 0.559144 Li\n0.805703 0.383646 0.057505 Li\n0.646254 0.676568 0.282344 Li\n0.408144 0.796807 0.043118 Li\n0.801041 0.817284 0.058537 Li\n0.330699 0.335465 0.033503 Ni\n0.663854 0.667565 0.533054 Ni\n0.151647 0.176718 0.286268 Ni\n0.642991 0.178626 0.286763 Ni\n0.152337 0.670631 0.286412 Ni\n0.847990 0.328819 0.786330 Ni\n0.359593 0.819926 0.787132 Ni\n0.847242 0.822952 0.786275 Ni\n0.010753 0.987232 0.680707 O\n0.982030 0.002062 0.181542 O\n0.186829 0.163722 0.914259 O\n0.476586 0.028235 0.157928 O\n0.702376 0.145345 0.902124 O\n0.014060 0.501136 0.167774 O\n0.311673 0.350128 0.399242 O\n0.481849 0.494254 0.156315 O\n0.809725 0.349419 0.411846 O\n0.192359 0.646157 0.913839 O\n0.525206 0.500117 0.657052 O\n0.983160 0.511390 0.667338 O\n0.694011 0.659081 0.900596 O\n0.299123 0.840266 0.404878 O\n0.519670 0.977436 0.654906 O\n0.803352 0.842998 0.411656 O\n","nsites":34,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":4.551377256327232,"density_atomic":0.1172287548215585,"volume":290.0312304071949,"volume_molar":5.137084983259177,"formula_full":"Li10 Ni8 O16","formula_reduced":"Li5(NiO2)4","formula_anonymous":"A4B5C8","energy":-195.59472138,"energy_per_atom":-5.752785922941177,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.27472138,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9993914,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.353000Z","spacegroup":9},{"id":"mp-1194537","created_at":"2022-09-04T14:46:16.880612Z","structure_string":"Ir2 Au2 N10 Cl12\n1.0\n0.000000 -8.578252 0.000000\n-7.598049 4.289126 1.306158\n1.596437 0.000000 -10.609561\nIr Au N Cl\n2 2 10 12\ndirect\n0.249734 0.499468 0.726305 Ir\n0.750266 0.500532 0.273695 Ir\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.131108 0.615354 0.728477 N\n0.484246 0.615354 0.728477 N\n0.868892 0.384646 0.271523 N\n0.515754 0.384646 0.271523 N\n0.316010 0.632019 0.946525 N\n0.683990 0.367981 0.053475 N\n0.000372 0.324139 0.776203 N\n0.323767 0.324139 0.776203 N\n0.999628 0.675861 0.223797 N\n0.676233 0.675861 0.223797 N\n0.521490 0.042980 0.296771 Cl\n0.478510 0.957020 0.703229 Cl\n0.981722 0.963445 0.206671 Cl\n0.018278 0.036555 0.793329 Cl\n0.143816 0.287633 0.522144 Cl\n0.856184 0.712367 0.477856 Cl\n0.343436 0.686872 0.399227 Cl\n0.656564 0.313128 0.600773 Cl\n0.269476 0.000000 0.000000 Cl\n0.730524 0.000000 0.000000 Cl\n0.252692 0.505385 0.039779 Cl\n0.747308 0.494615 0.960221 Cl\n","nsites":26,"nelements":4,"elements":["Ir","Au","N","Cl"],"chemical_system":"Au-Cl-Ir-N","density":3.31275937888372,"density_atomic":0.03859729231918516,"volume":673.6223822383636,"volume_molar":15.602495403561345,"formula_full":"Ir2 Au2 N10 Cl12","formula_reduced":"IrAuN5Cl6","formula_anonymous":"ABC5D6","energy":-104.95599428,"energy_per_atom":-4.0367690107692304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.58799428,"band_gap":0.2034,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9994028,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.190000Z","spacegroup":12},{"id":"mp-29457","created_at":"2022-09-04T14:44:18.492126Z","structure_string":"Ba4 Cu10 F28\n1.0\n6.714297 0.000000 0.000000\n-3.357149 8.249567 -4.164169\n0.000000 0.051087 10.491893\nBa Cu F\n4 10 28\ndirect\n0.779908 0.325327 0.629938 Ba\n0.454582 0.674673 0.870062 Ba\n0.220092 0.674673 0.370062 Ba\n0.545418 0.325327 0.129938 Ba\n0.645738 0.000000 0.750000 Cu\n0.354262 0.000000 0.250000 Cu\n0.176586 0.069852 0.640258 Cu\n0.106734 0.930148 0.859742 Cu\n0.823414 0.930148 0.359742 Cu\n0.893266 0.069852 0.140258 Cu\n0.295049 0.350728 0.492542 Cu\n0.944321 0.649272 0.007458 Cu\n0.704951 0.649272 0.507458 Cu\n0.055679 0.350728 0.992542 Cu\n0.017122 0.721004 0.860932 F\n0.296118 0.278996 0.639068 F\n0.982878 0.278996 0.139068 F\n0.703882 0.721004 0.360932 F\n0.113722 0.929471 0.367134 F\n0.184250 0.070529 0.132866 F\n0.886278 0.070529 0.632866 F\n0.815750 0.929471 0.867134 F\n0.829387 0.500861 0.394784 F\n0.328526 0.499139 0.105216 F\n0.170613 0.499139 0.605216 F\n0.671474 0.500861 0.894784 F\n0.058964 0.846580 0.611063 F\n0.212383 0.153420 0.888937 F\n0.536947 0.932607 0.355506 F\n0.604340 0.067393 0.144494 F\n0.463053 0.067393 0.644494 F\n0.395660 0.932607 0.855506 F\n0.541272 0.780805 0.602860 F\n0.760468 0.219195 0.897140 F\n0.458728 0.219195 0.397140 F\n0.239532 0.780805 0.102860 F\n0.644074 0.555210 0.637238 F\n0.088863 0.444790 0.862762 F\n0.355926 0.444790 0.362762 F\n0.911137 0.555210 0.137238 F\n0.787617 0.846580 0.111063 F\n0.941037 0.153420 0.388937 F\n","nsites":42,"nelements":3,"elements":["Ba","Cu","F"],"chemical_system":"Ba-Cu-F","density":4.8932536029845215,"density_atomic":0.07209375038659714,"volume":582.5747693077175,"volume_molar":8.3532077714181,"formula_full":"Ba4 Cu10 F28","formula_reduced":"Ba2Cu5F14","formula_anonymous":"A2B5C14","energy":-207.11353065,"energy_per_atom":-4.931274539285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.17753065,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9994138,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.564000Z","spacegroup":15}]}