{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12129","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12127","results":[{"id":"mp-23483","created_at":"2022-09-04T14:47:38.663328Z","structure_string":"Rb2 Cr1 Cl4\n1.0\n-3.199153 3.199153 10.544222\n3.199153 -3.199153 10.544222\n3.199153 3.199153 -10.544222\nRb Cr Cl\n2 1 4\ndirect\n0.273271 0.273271 0.000000 Rb\n0.726729 0.726729 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.103130 0.103130 0.000000 Cl\n0.896870 0.896870 0.000000 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n","nsites":7,"nelements":3,"elements":["Rb","Cr","Cl"],"chemical_system":"Cl-Cr-Rb","density":1.4031120126548018,"density_atomic":0.01621636407050188,"volume":431.6627309036086,"volume_molar":37.13619609067904,"formula_full":"Rb2 Cr1 Cl4","formula_reduced":"Rb2CrCl4","formula_anonymous":"AB2C4","energy":-29.410638859999995,"energy_per_atom":-4.201519837142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.95463886,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992214,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.473000Z","spacegroup":139},{"id":"mp-1072802","created_at":"2022-09-04T14:47:38.673050Z","structure_string":"Ca2 Zn2 Sn2\n1.0\n2.311633 -4.003866 0.000000\n2.311633 4.003866 0.000000\n0.000000 0.000000 8.184329\nCa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n","nsites":6,"nelements":3,"elements":["Ca","Zn","Sn"],"chemical_system":"Ca-Sn-Zn","density":4.914704326571721,"density_atomic":0.03960406418278213,"volume":151.49960297783025,"volume_molar":15.205865570276815,"formula_full":"Ca2 Zn2 Sn2","formula_reduced":"CaZnSn","formula_anonymous":"ABC","energy":-17.44344666,"energy_per_atom":-2.9072411099999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.44344666,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001414,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.453000Z","spacegroup":194},{"id":"mp-1185788","created_at":"2022-09-04T14:47:38.685010Z","structure_string":"Mg6 Cr2\n1.0\n3.093501 -5.358101 0.000000\n3.093501 5.358101 0.000000\n0.000000 0.000000 4.982184\nMg Cr\n6 2\ndirect\n0.170800 0.341599 0.250000 Mg\n0.170800 0.829200 0.250000 Mg\n0.658401 0.829200 0.250000 Mg\n0.341599 0.170800 0.750000 Mg\n0.829200 0.170800 0.750000 Mg\n0.829200 0.658401 0.750000 Mg\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n","nsites":8,"nelements":2,"elements":["Mg","Cr"],"chemical_system":"Cr-Mg","density":2.5117083602050183,"density_atomic":0.048437204695020955,"volume":165.16229725416733,"volume_molar":12.432882528869463,"formula_full":"Mg6 Cr2","formula_reduced":"Mg3Cr","formula_anonymous":"AB3","energy":-26.79589461,"energy_per_atom":-3.34948682625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.79589461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.806638,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.395000Z","spacegroup":194},{"id":"mp-1078098","created_at":"2022-09-04T14:47:39.559271Z","structure_string":"U1 Ga5 Fe1\n1.0\n4.282622 0.000000 0.000000\n0.000000 4.282622 0.000000\n0.000000 0.000000 6.696353\nU Ga Fe\n1 5 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.691760 Ga\n0.000000 0.500000 0.691760 Ga\n0.500000 0.000000 0.308240 Ga\n0.000000 0.500000 0.308240 Ga\n0.000000 0.000000 0.500000 Fe\n","nsites":7,"nelements":3,"elements":["U","Ga","Fe"],"chemical_system":"Fe-Ga-U","density":8.686741667105112,"density_atomic":0.05699545344401284,"volume":122.81681392141506,"volume_molar":10.566002016135558,"formula_full":"U1 Ga5 Fe1","formula_reduced":"UGa5Fe","formula_anonymous":"ABC5","energy":-36.77657698,"energy_per_atom":-5.2537967114285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.77657698,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1112117,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.018000Z","spacegroup":123},{"id":"mp-975530","created_at":"2022-09-04T14:47:38.605938Z","structure_string":"Rb1 Al1\n1.0\n4.315756 0.000000 0.000000\n0.000000 4.315756 0.000000\n0.000000 0.000000 4.315756\nRb Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n","nsites":2,"nelements":2,"elements":["Rb","Al"],"chemical_system":"Al-Rb","density":2.322925887102806,"density_atomic":0.02488051392063103,"volume":80.38419167626563,"volume_molar":24.2042458576646,"formula_full":"Rb1 Al1","formula_reduced":"RbAl","formula_anonymous":"AB","energy":-3.40903703,"energy_per_atom":-1.704518515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.40903703,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0073743,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.637000Z","spacegroup":221},{"id":"mp-31900","created_at":"2022-09-04T14:47:38.809495Z","structure_string":"Ta1 Mn2 O3\n1.0\n2.551219 -4.418841 0.000000\n2.551219 4.418841 0.000000\n0.000000 0.000000 3.071486\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ta","Mn","O"],"chemical_system":"Mn-O-Ta","density":8.124305870401185,"density_atomic":0.08663963201538659,"volume":69.25237169675931,"volume_molar":6.950792172028744,"formula_full":"Ta1 Mn2 O3","formula_reduced":"TaMn2O3","formula_anonymous":"AB2C3","energy":-52.9330095,"energy_per_atom":-8.822168249999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.5360095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.6288773,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.081000Z","spacegroup":191},{"id":"mp-1217436","created_at":"2022-09-04T14:47:38.486480Z","structure_string":"Th4 U8 S20\n1.0\n7.416752 0.000000 0.000000\n0.000000 7.955353 0.000000\n0.000000 0.000000 11.822763\nTh U S\n4 8 20\ndirect\n0.022875 0.498842 0.821950 Th\n0.977125 0.998842 0.178050 Th\n0.522875 0.998842 0.678050 Th\n0.477125 0.498842 0.321950 Th\n0.574481 0.251395 0.992424 U\n0.925519 0.251395 0.492424 U\n0.425519 0.751395 0.007576 U\n0.074481 0.751395 0.507576 U\n0.477909 0.000349 0.319929 U\n0.522091 0.500349 0.680071 U\n0.977909 0.500349 0.180071 U\n0.022091 0.000349 0.819929 U\n0.336348 0.044074 0.099314 S\n0.168083 0.455458 0.597421 S\n0.663652 0.544074 0.900686 S\n0.831917 0.955458 0.402579 S\n0.668083 0.955458 0.902579 S\n0.836348 0.544074 0.400686 S\n0.331917 0.455458 0.097421 S\n0.163652 0.044074 0.599314 S\n0.700088 0.249718 0.216406 S\n0.799912 0.249718 0.716406 S\n0.299912 0.749718 0.783594 S\n0.200088 0.749718 0.283594 S\n0.329099 0.249969 0.812430 S\n0.170901 0.249969 0.312430 S\n0.670901 0.749969 0.187570 S\n0.829099 0.749969 0.687570 S\n0.962173 0.250194 0.999041 S\n0.537827 0.250194 0.499041 S\n0.037827 0.750194 0.000959 S\n0.462173 0.750194 0.500959 S\n","nsites":32,"nelements":3,"elements":["Th","U","S"],"chemical_system":"S-Th-U","density":8.268888757621268,"density_atomic":0.04587306748717086,"volume":697.5770697904454,"volume_molar":13.12783532883252,"formula_full":"Th4 U8 S20","formula_reduced":"ThU2S5","formula_anonymous":"AB2C5","energy":-263.99014316,"energy_per_atom":-8.24969197375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.93014316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.3956953,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.506000Z","spacegroup":33},{"id":"mp-1222153","created_at":"2022-09-04T14:47:38.529212Z","structure_string":"Na26 Ge15 Au40\n1.0\n-7.361112 7.451954 7.492056\n7.361112 -7.451954 7.492056\n7.361112 7.451954 -7.492056\nNa Ge Au\n26 15 40\ndirect\n0.119292 0.119328 0.618984 Na\n0.500272 0.500497 0.381084 Na\n0.880708 0.499692 0.000036 Na\n0.499728 0.880812 0.000226 Na\n0.880587 0.880812 0.381084 Na\n0.499656 0.499692 0.618984 Na\n0.119413 0.500497 0.000226 Na\n0.500344 0.119328 0.000036 Na\n0.803004 0.304466 0.501462 Na\n0.196996 0.698458 0.501462 Na\n0.000000 0.800832 0.800832 Na\n0.000000 0.195703 0.195703 Na\n0.690712 0.999990 0.690702 Na\n0.309288 0.999990 0.309278 Na\n0.386704 0.190531 0.577235 Na\n0.613646 0.809395 0.423040 Na\n0.613296 0.190531 0.803826 Na\n0.386354 0.809395 0.195749 Na\n0.921178 0.615229 0.308228 Na\n0.078822 0.387050 0.694051 Na\n0.692999 0.387050 0.308228 Na\n0.307001 0.615229 0.694051 Na\n0.194188 0.309899 0.115710 Na\n0.806063 0.690433 0.884369 Na\n0.193937 0.078306 0.884369 Na\n0.805812 0.921522 0.115710 Na\n0.193621 0.301998 0.495620 Ge\n0.808888 0.697810 0.506698 Ge\n0.806379 0.301998 0.108377 Ge\n0.191112 0.697810 0.888923 Ge\n0.005089 0.805753 0.199256 Ge\n0.994911 0.194167 0.800664 Ge\n0.393503 0.194167 0.199256 Ge\n0.606497 0.805753 0.800664 Ge\n0.299999 0.608881 0.308882 Ge\n0.699215 0.389950 0.690734 Ge\n0.300785 0.991519 0.690734 Ge\n0.700001 0.008884 0.308882 Ge\n0.000000 0.404796 0.404796 Ge\n0.906201 0.999971 0.906172 Ge\n0.093799 0.999971 0.093770 Ge\n0.335664 0.397423 0.733087 Au\n0.665324 0.603646 0.268969 Au\n0.664336 0.397423 0.061760 Au\n0.334676 0.603646 0.938322 Au\n0.768261 0.665752 0.102990 Au\n0.231739 0.334729 0.897491 Au\n0.437238 0.334729 0.102990 Au\n0.562762 0.665752 0.897491 Au\n0.396564 0.562396 0.165832 Au\n0.603322 0.437448 0.834126 Au\n0.396678 0.230803 0.834126 Au\n0.603436 0.769268 0.165832 Au\n0.500000 0.500640 0.000640 Au\n0.953027 0.168935 0.410630 Au\n0.756262 0.543098 0.591675 Au\n0.046973 0.457603 0.215908 Au\n0.243738 0.835412 0.786836 Au\n0.092092 0.761557 0.044241 Au\n0.907908 0.952148 0.669464 Au\n0.282126 0.239102 0.330307 Au\n0.717874 0.048181 0.956976 Au\n0.457418 0.711643 0.548657 Au\n0.836570 0.287493 0.745959 Au\n0.163430 0.909389 0.450923 Au\n0.542582 0.091239 0.254225 Au\n0.048576 0.835412 0.591675 Au\n0.241695 0.457603 0.410630 Au\n0.951424 0.543098 0.786836 Au\n0.758305 0.168935 0.215908 Au\n0.908795 0.239102 0.956976 Au\n0.091205 0.048181 0.330307 Au\n0.717316 0.761557 0.669464 Au\n0.282684 0.952148 0.044241 Au\n0.541534 0.287493 0.450923 Au\n0.162986 0.711643 0.254225 Au\n0.837014 0.091239 0.548657 Au\n0.458466 0.909389 0.745959 Au\n0.591608 0.090948 0.499340 Au\n0.408392 0.907732 0.499340 Au\n0.000000 0.578058 0.578058 Au\n","nsites":81,"nelements":3,"elements":["Na","Ge","Au"],"chemical_system":"Au-Ge-Na","density":9.66283869443379,"density_atomic":0.049273160703868196,"volume":1643.8969784546637,"volume_molar":12.221949381719348,"formula_full":"Na26 Ge15 Au40","formula_reduced":"Na26(Ge3Au8)5","formula_anonymous":"A15B26C40","energy":-258.9113251,"energy_per_atom":-3.196436112345679,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.9113251,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.27e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.374000Z","spacegroup":44},{"id":"mp-530196","created_at":"2022-09-04T14:47:38.533500Z","structure_string":"Mn16 Cu8 O32\n1.0\n5.058433 0.000000 2.920488\n1.686145 4.769137 2.920488\n-0.198713 -0.140511 23.708086\nMn Cu O\n16 8 32\ndirect\n0.126194 0.126194 0.030355 Mn\n0.995431 0.502354 0.124965 Mn\n0.123768 0.123768 0.282174 Mn\n0.502354 0.995431 0.124965 Mn\n0.502354 0.502354 0.124965 Mn\n0.992874 0.495188 0.379188 Mn\n0.495188 0.992874 0.379188 Mn\n0.495188 0.495188 0.379188 Mn\n0.999717 0.499615 0.625263 Mn\n0.496199 0.496199 0.502851 Mn\n0.499615 0.999717 0.625263 Mn\n0.499615 0.499615 0.625263 Mn\n0.001339 0.506559 0.871386 Mn\n0.502315 0.502315 0.748264 Mn\n0.506559 0.001339 0.871386 Mn\n0.506559 0.506559 0.871386 Mn\n0.502771 0.502771 0.997922 Cu\n0.496754 0.496754 0.252434 Cu\n0.124176 0.124176 0.531868 Cu\n0.127718 0.127718 0.779212 Cu\n0.873208 0.873208 0.220094 Cu\n0.870907 0.870907 0.471820 Cu\n0.876760 0.876760 0.717430 Cu\n0.878041 0.878041 0.966470 Cu\n0.253301 0.253301 0.069607 O\n0.261890 0.261890 0.178583 O\n0.253301 0.714969 0.069607 O\n0.714969 0.253301 0.069607 O\n0.244253 0.244253 0.324855 O\n0.289181 0.747441 0.178984 O\n0.244253 0.712072 0.324855 O\n0.747441 0.289181 0.178984 O\n0.739723 0.739723 0.070207 O\n0.259339 0.259339 0.430496 O\n0.712072 0.244253 0.324855 O\n0.747441 0.747441 0.178984 O\n0.261452 0.261452 0.567225 O\n0.287073 0.730816 0.437824 O\n0.732815 0.732815 0.325389 O\n0.730816 0.287073 0.437824 O\n0.261452 0.708196 0.567225 O\n0.264357 0.264357 0.676732 O\n0.730816 0.730816 0.437824 O\n0.708196 0.261452 0.567225 O\n0.291760 0.737715 0.683203 O\n0.268617 0.268617 0.812745 O\n0.734979 0.734979 0.573766 O\n0.737715 0.291760 0.683203 O\n0.266537 0.266537 0.925098 O\n0.268617 0.711788 0.812745 O\n0.737715 0.737715 0.683203 O\n0.711788 0.268617 0.812745 O\n0.293254 0.753770 0.924802 O\n0.753770 0.293254 0.924802 O\n0.741738 0.741738 0.818697 O\n0.753770 0.753770 0.924802 O\n","nsites":56,"nelements":3,"elements":["Mn","Cu","O"],"chemical_system":"Cu-Mn-O","density":5.474727248790885,"density_atomic":0.09720636350065945,"volume":576.0939714571268,"volume_molar":6.195212476968285,"formula_full":"Mn16 Cu8 O32","formula_reduced":"Mn2CuO4","formula_anonymous":"AB2C4","energy":-427.72452001,"energy_per_atom":-7.637937857321428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-379.05252001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.002757,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.229000Z","spacegroup":160},{"id":"mp-1113575","created_at":"2022-09-04T14:47:38.794034Z","structure_string":"Cs2 Ag1 Au1 Br6\n1.0\n0.000000 5.489549 5.489549\n5.489549 0.000000 5.489549\n5.489549 5.489549 0.000000\nCs Ag Au Br\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 Ag\n0.000000 0.000000 0.000000 Au\n0.752924 0.247076 0.247076 Br\n0.247076 0.247076 0.752924 Br\n0.247076 0.752924 0.752924 Br\n0.247076 0.752924 0.247076 Br\n0.752924 0.247076 0.752924 Br\n0.752924 0.752924 0.247076 Br\n","nsites":10,"nelements":4,"elements":["Cs","Ag","Au","Br"],"chemical_system":"Ag-Au-Br-Cs","density":5.270201492282821,"density_atomic":0.030224561334514465,"volume":330.8567455892455,"volume_molar":19.924658933339455,"formula_full":"Cs2 Ag1 Au1 Br6","formula_reduced":"Cs2AgAuBr6","formula_anonymous":"ABC2D6","energy":-29.786468140000004,"energy_per_atom":-2.978646814,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.58246814,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004873,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.596000Z","spacegroup":225},{"id":"mp-1016165","created_at":"2022-09-04T14:47:38.540216Z","structure_string":"Li2 Mn16 O32\n1.0\n5.901035 0.000000 0.000000\n0.000000 9.878917 0.000000\n0.000000 9.773906 9.981636\nLi Mn O\n2 16 32\ndirect\n0.374988 0.089393 0.421843 Li\n0.625012 0.089393 0.921843 Li\n0.625887 0.485102 0.346642 Mn\n0.124377 0.485958 0.345671 Mn\n0.625503 0.821162 0.830731 Mn\n0.124329 0.822858 0.830054 Mn\n0.123666 0.187589 0.160979 Mn\n0.626441 0.187925 0.161056 Mn\n0.125335 0.521671 0.646143 Mn\n0.625393 0.524307 0.643773 Mn\n0.875623 0.485958 0.845671 Mn\n0.374113 0.485102 0.846642 Mn\n0.875671 0.822858 0.330054 Mn\n0.374497 0.821162 0.330731 Mn\n0.876334 0.187589 0.660979 Mn\n0.373559 0.187925 0.661056 Mn\n0.874665 0.521671 0.146143 Mn\n0.374607 0.524307 0.143773 Mn\n0.874771 0.386352 0.657050 O\n0.375785 0.386334 0.657234 O\n0.875084 0.289967 0.038878 O\n0.375149 0.290310 0.039315 O\n0.874671 0.718090 0.953296 O\n0.375246 0.719032 0.952684 O\n0.875453 0.622441 0.335825 O\n0.374857 0.621890 0.335531 O\n0.125229 0.386352 0.157050 O\n0.624215 0.386334 0.157234 O\n0.124916 0.289967 0.538878 O\n0.624851 0.290310 0.539315 O\n0.624754 0.719032 0.452684 O\n0.125329 0.718090 0.453296 O\n0.625143 0.621890 0.835531 O\n0.124547 0.622441 0.835825 O\n0.625594 0.355862 0.838951 O\n0.124936 0.363127 0.837665 O\n0.126276 0.954871 0.201233 O\n0.624005 0.956208 0.199420 O\n0.125389 0.644461 0.152733 O\n0.624451 0.646265 0.152155 O\n0.625004 0.060484 0.792834 O\n0.125190 0.062492 0.788478 O\n0.875064 0.363127 0.337665 O\n0.374406 0.355862 0.338951 O\n0.873724 0.954871 0.701233 O\n0.375995 0.956208 0.699420 O\n0.874611 0.644461 0.652733 O\n0.375549 0.646265 0.652155 O\n0.874810 0.062492 0.288478 O\n0.374996 0.060484 0.292834 O\n","nsites":50,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.009095949696769,"density_atomic":0.08592721752151132,"volume":581.8878050773939,"volume_molar":7.008420537407018,"formula_full":"Li2 Mn16 O32","formula_reduced":"LiMn8O16","formula_anonymous":"AB8C16","energy":-402.13576576,"energy_per_atom":-8.0427153152,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.46376576,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":50.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.164000Z","spacegroup":7},{"id":"mp-569141","created_at":"2022-09-04T14:47:38.549522Z","structure_string":"Lu33 Te12\n1.0\n1.973253 15.316171 0.000000\n-1.973253 15.316171 0.000000\n0.000000 4.711442 20.742163\nLu Te\n33 12\ndirect\n0.745030 0.745030 0.072995 Lu\n0.032020 0.032020 0.165312 Lu\n0.967980 0.967980 0.834688 Lu\n0.172124 0.172124 0.434921 Lu\n0.574198 0.574198 0.037852 Lu\n0.714309 0.714309 0.543948 Lu\n0.393810 0.393810 0.778957 Lu\n0.757427 0.757427 0.345687 Lu\n0.561422 0.561422 0.413708 Lu\n0.536038 0.536038 0.692077 Lu\n0.425802 0.425802 0.962148 Lu\n0.873100 0.873100 0.092201 Lu\n0.130711 0.130711 0.630920 Lu\n0.606190 0.606190 0.221043 Lu\n0.126900 0.126900 0.907799 Lu\n0.827876 0.827876 0.565079 Lu\n0.438578 0.438578 0.586292 Lu\n0.254970 0.254970 0.927005 Lu\n0.968124 0.968124 0.444901 Lu\n0.203893 0.203893 0.218870 Lu\n0.285691 0.285691 0.456052 Lu\n0.869289 0.869289 0.369080 Lu\n0.000000 0.000000 0.000000 Lu\n0.796107 0.796107 0.781130 Lu\n0.463962 0.463962 0.307923 Lu\n0.659130 0.659130 0.745117 Lu\n0.340870 0.340870 0.254883 Lu\n0.543488 0.543488 0.882219 Lu\n0.150881 0.150881 0.096029 Lu\n0.849119 0.849119 0.903971 Lu\n0.456512 0.456512 0.117781 Lu\n0.031876 0.031876 0.555099 Lu\n0.242573 0.242573 0.654313 Lu\n0.784042 0.784042 0.194378 Te\n0.958103 0.958103 0.689232 Te\n0.612635 0.612635 0.527440 Te\n0.215958 0.215958 0.805622 Te\n0.079986 0.079986 0.774610 Te\n0.387365 0.387365 0.472560 Te\n0.041897 0.041897 0.310768 Te\n0.658193 0.658193 0.328288 Te\n0.920014 0.920014 0.225390 Te\n0.678225 0.678225 0.979980 Te\n0.321775 0.321775 0.020020 Te\n0.341807 0.341807 0.671712 Te\n","nsites":45,"nelements":2,"elements":["Lu","Te"],"chemical_system":"Lu-Te","density":9.675176583497787,"density_atomic":0.035891821325804166,"volume":1253.7675252397285,"volume_molar":16.77858781624555,"formula_full":"Lu33 Te12","formula_reduced":"Lu11Te4","formula_anonymous":"A4B11","energy":-219.89796117,"energy_per_atom":-4.886621359333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.83396117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5529023,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.651000Z","spacegroup":12}]}