{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=41","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=39","results":[{"id":"mp-676074","created_at":"2022-09-04T14:44:20.275449Z","structure_string":"Na4 Th2 F12\n1.0\n5.974158 3.412744 0.000000\n-5.974158 3.412744 0.000000\n0.000000 2.301521 6.590885\nNa Th F\n4 2 12\ndirect\n0.918815 0.081185 0.750000 Na\n0.243006 0.756994 0.750000 Na\n0.081185 0.918815 0.250000 Na\n0.756994 0.243006 0.250000 Na\n0.592730 0.407270 0.750000 Th\n0.407270 0.592730 0.250000 Th\n0.530465 0.684848 0.884197 F\n0.229753 0.066862 0.871340 F\n0.066862 0.229753 0.371340 F\n0.860993 0.371344 0.874063 F\n0.770247 0.933138 0.128660 F\n0.684848 0.530465 0.384197 F\n0.469535 0.315152 0.115803 F\n0.371344 0.860993 0.374063 F\n0.315152 0.469535 0.615803 F\n0.139007 0.628656 0.125937 F\n0.933138 0.770247 0.628660 F\n0.628656 0.139007 0.625937 F\n","nsites":18,"nelements":3,"elements":["Na","Th","F"],"chemical_system":"F-Na-Th","density":4.844175815554495,"density_atomic":0.06697586932994486,"volume":268.75351048190447,"volume_molar":8.991508165923133,"formula_full":"Na4 Th2 F12","formula_reduced":"Na2ThF6","formula_anonymous":"AB2C6","energy":-112.25383791,"energy_per_atom":-6.236324328333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.70983791,"band_gap":6.254999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017414,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.062000Z","spacegroup":15},{"id":"mp-779712","created_at":"2022-09-04T14:44:20.279775Z","structure_string":"Ti34 N12 O48\n1.0\n9.662522 0.000000 0.000000\n0.000000 10.027940 0.000000\n0.000000 0.000000 11.488282\nTi N O\n34 12 48\ndirect\n0.114050 0.179512 0.000000 Ti\n0.386904 0.692618 0.000000 Ti\n0.114050 0.820488 0.000000 Ti\n0.051820 0.500000 0.000000 Ti\n0.386904 0.307382 0.000000 Ti\n0.887957 0.677849 0.166778 Ti\n0.606435 0.173203 0.162068 Ti\n0.887957 0.322151 0.166778 Ti\n0.945673 0.000000 0.165157 Ti\n0.606435 0.826797 0.162068 Ti\n0.551470 0.500000 0.162076 Ti\n0.054327 0.500000 0.334843 Ti\n0.112043 0.822151 0.333222 Ti\n0.393565 0.326797 0.337932 Ti\n0.393565 0.673203 0.337932 Ti\n0.112043 0.177849 0.333222 Ti\n0.448530 0.000000 0.337924 Ti\n0.885950 0.320488 0.500000 Ti\n0.948180 0.000000 0.500000 Ti\n0.613096 0.807382 0.500000 Ti\n0.613096 0.192618 0.500000 Ti\n0.885950 0.679512 0.500000 Ti\n0.393565 0.326797 0.662068 Ti\n0.112043 0.822151 0.666778 Ti\n0.112043 0.177849 0.666778 Ti\n0.448530 0.000000 0.662076 Ti\n0.054327 0.500000 0.665157 Ti\n0.393565 0.673203 0.662068 Ti\n0.887957 0.322151 0.833222 Ti\n0.551470 0.500000 0.837924 Ti\n0.606435 0.173203 0.837932 Ti\n0.887957 0.677849 0.833222 Ti\n0.945673 0.000000 0.834843 Ti\n0.606435 0.826797 0.837932 Ti\n0.016560 0.000000 0.000000 N\n0.477088 0.500000 0.000000 N\n0.981152 0.500000 0.167960 N\n0.529886 0.000000 0.181985 N\n0.018848 0.000000 0.332040 N\n0.470114 0.500000 0.318015 N\n0.983440 0.500000 0.500000 N\n0.522912 0.000000 0.500000 N\n0.018848 0.000000 0.667960 N\n0.470114 0.500000 0.681985 N\n0.529886 0.000000 0.818015 N\n0.981152 0.500000 0.832040 N\n0.933173 0.316130 0.000000 O\n0.293554 0.139963 0.000000 O\n0.199653 0.628439 0.000000 O\n0.574124 0.802498 0.000000 O\n0.293554 0.860037 0.000000 O\n0.933173 0.683870 0.000000 O\n0.199653 0.371561 0.000000 O\n0.574124 0.197502 0.000000 O\n0.798312 0.868760 0.166264 O\n0.798312 0.131240 0.166264 O\n0.440609 0.311554 0.164869 O\n0.061614 0.186559 0.166344 O\n0.061614 0.813441 0.166344 O\n0.440609 0.688446 0.164869 O\n0.703258 0.630284 0.168846 O\n0.703258 0.369716 0.168846 O\n0.938386 0.313441 0.333656 O\n0.938386 0.686559 0.333656 O\n0.201688 0.631240 0.333736 O\n0.296742 0.869716 0.331154 O\n0.201688 0.368760 0.333736 O\n0.559391 0.811554 0.335131 O\n0.296742 0.130284 0.331154 O\n0.559391 0.188446 0.335131 O\n0.066827 0.183870 0.500000 O\n0.066827 0.816130 0.500000 O\n0.425876 0.302498 0.500000 O\n0.706446 0.360037 0.500000 O\n0.800347 0.871561 0.500000 O\n0.800347 0.128439 0.500000 O\n0.425876 0.697502 0.500000 O\n0.706446 0.639963 0.500000 O\n0.938386 0.313441 0.666344 O\n0.201688 0.368760 0.666264 O\n0.296742 0.130284 0.668846 O\n0.296742 0.869716 0.668846 O\n0.559391 0.188446 0.664869 O\n0.559391 0.811554 0.664869 O\n0.938386 0.686559 0.666344 O\n0.201688 0.631240 0.666264 O\n0.440609 0.311554 0.835131 O\n0.440609 0.688446 0.835131 O\n0.703258 0.369716 0.831154 O\n0.703258 0.630284 0.831154 O\n0.798312 0.868760 0.833736 O\n0.798312 0.131240 0.833736 O\n0.061614 0.186559 0.833656 O\n0.061614 0.813441 0.833656 O\n","nsites":94,"nelements":3,"elements":["Ti","N","O"],"chemical_system":"N-O-Ti","density":3.8241077775373102,"density_atomic":0.08444433957835695,"volume":1113.1592770972675,"volume_molar":7.13149133508467,"formula_full":"Ti34 N12 O48","formula_reduced":"Ti17(NO4)6","formula_anonymous":"A6B17C24","energy":-893.0499778599999,"energy_per_atom":-9.500531679361702,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-855.74197786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015157,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.815000Z","spacegroup":59},{"id":"mp-961674","created_at":"2022-09-04T14:44:19.617205Z","structure_string":"V1 Ge1 Pt1\n1.0\n0.000000 2.947844 2.947844\n2.947844 0.000000 2.947844\n2.947844 2.947844 0.000000\nV Ge Pt\n1 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Pt\n","nsites":3,"nelements":3,"elements":["V","Ge","Pt"],"chemical_system":"Ge-Pt-V","density":10.32858097323463,"density_atomic":0.05855685836091931,"volume":51.232256715503574,"volume_molar":10.284262046440592,"formula_full":"V1 Ge1 Pt1","formula_reduced":"VGePt","formula_anonymous":"ABC","energy":-20.16565024,"energy_per_atom":-6.721883413333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.16565024,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4287977,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.012000Z","spacegroup":216},{"id":"mp-1038678","created_at":"2022-09-04T14:44:20.417295Z","structure_string":"Sr1 Mg30 Bi1 O32\n1.0\n8.703109 0.000000 0.000000\n0.000000 8.703109 0.000000\n0.000000 0.000000 8.709836\nSr Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248167 0.248167 0.000000 Mg\n0.248167 0.751833 0.000000 Mg\n0.751833 0.248167 0.000000 Mg\n0.751833 0.751833 0.000000 Mg\n0.249740 0.249740 0.500000 Mg\n0.249740 0.750260 0.500000 Mg\n0.750260 0.249740 0.500000 Mg\n0.750260 0.750260 0.500000 Mg\n0.000000 0.254280 0.255429 Mg\n0.000000 0.745720 0.255429 Mg\n0.500000 0.243801 0.256900 Mg\n0.500000 0.756199 0.256900 Mg\n0.000000 0.254280 0.744571 Mg\n0.000000 0.745720 0.744571 Mg\n0.500000 0.243801 0.743100 Mg\n0.500000 0.756199 0.743100 Mg\n0.254280 0.000000 0.255429 Mg\n0.243801 0.500000 0.256900 Mg\n0.745720 0.000000 0.255429 Mg\n0.756199 0.500000 0.256900 Mg\n0.254280 0.000000 0.744571 Mg\n0.243801 0.500000 0.743100 Mg\n0.745720 0.000000 0.744571 Mg\n0.756199 0.500000 0.743100 Mg\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.269777 O\n0.000000 0.500000 0.255073 O\n0.500000 0.000000 0.255073 O\n0.500000 0.500000 0.270012 O\n0.000000 0.000000 0.730223 O\n0.000000 0.500000 0.744927 O\n0.500000 0.000000 0.744927 O\n0.500000 0.500000 0.729988 O\n0.250586 0.250586 0.248181 O\n0.250586 0.749414 0.248181 O\n0.749414 0.250586 0.248181 O\n0.749414 0.749414 0.248181 O\n0.250586 0.250586 0.751819 O\n0.250586 0.749414 0.751819 O\n0.749414 0.250586 0.751819 O\n0.749414 0.749414 0.751819 O\n0.000000 0.268015 0.000000 O\n0.000000 0.731985 0.000000 O\n0.500000 0.234089 0.000000 O\n0.500000 0.765911 0.000000 O\n0.000000 0.253361 0.500000 O\n0.000000 0.746639 0.500000 O\n0.500000 0.247526 0.500000 O\n0.500000 0.752474 0.500000 O\n0.268015 0.000000 0.000000 O\n0.234089 0.500000 0.000000 O\n0.731985 0.000000 0.000000 O\n0.765911 0.500000 0.000000 O\n0.253361 0.000000 0.500000 O\n0.247526 0.500000 0.500000 O\n0.746639 0.000000 0.500000 O\n0.752474 0.500000 0.500000 O\n","nsites":64,"nelements":4,"elements":["Sr","Mg","Bi","O"],"chemical_system":"Bi-Mg-O-Sr","density":3.8705323390066813,"density_atomic":0.097011037849779,"volume":659.7187435423957,"volume_molar":6.207686149410387,"formula_full":"Sr1 Mg30 Bi1 O32","formula_reduced":"SrMg30BiO32","formula_anonymous":"ABC30D32","energy":-396.50083233,"energy_per_atom":-6.19532550515625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.51683233,"band_gap":0.1676999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0069227,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.435000Z","spacegroup":123},{"id":"mp-23465","created_at":"2022-09-04T14:44:20.518221Z","structure_string":"Cs2 Te1 Cl6\n1.0\n0.000000 5.428022 5.428022\n5.428022 0.000000 5.428022\n5.428022 5.428022 0.000000\nCs Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Te\n0.763307 0.236693 0.763307 Cl\n0.236693 0.236693 0.763307 Cl\n0.763307 0.763307 0.236693 Cl\n0.236693 0.763307 0.236693 Cl\n0.236693 0.763307 0.763307 Cl\n0.763307 0.236693 0.236693 Cl\n","nsites":9,"nelements":3,"elements":["Cs","Te","Cl"],"chemical_system":"Cl-Cs-Te","density":3.1467286800259937,"density_atomic":0.028137643064291763,"volume":319.85621466005097,"volume_molar":21.402434973817805,"formula_full":"Cs2 Te1 Cl6","formula_reduced":"Cs2TeCl6","formula_anonymous":"AB2C6","energy":-31.51596939,"energy_per_atom":-3.5017743766666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.83196939,"band_gap":2.7815000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.85e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.741000Z","spacegroup":225},{"id":"mp-1223086","created_at":"2022-09-04T14:44:19.619486Z","structure_string":"La2 Y1 C6\n1.0\n1.914674 3.768187 0.000000\n-1.914674 3.768187 0.000000\n0.000000 1.481830 10.002131\nLa Y C\n2 1 6\ndirect\n0.334563 0.334563 0.670381 La\n0.665437 0.665437 0.329619 La\n0.000000 0.000000 0.000000 Y\n0.736256 0.736256 0.881056 C\n0.066393 0.066393 0.534583 C\n0.400424 0.400424 0.183143 C\n0.263744 0.263744 0.118944 C\n0.599576 0.599576 0.816857 C\n0.933607 0.933607 0.465417 C\n","nsites":9,"nelements":3,"elements":["La","Y","C"],"chemical_system":"C-La-Y","density":5.048322376356124,"density_atomic":0.06235807336708551,"volume":144.32774321007926,"volume_molar":9.657355390935907,"formula_full":"La2 Y1 C6","formula_reduced":"La2YC6","formula_anonymous":"AB2C6","energy":-73.18863189,"energy_per_atom":-8.13207021,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.18863189,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00115,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.574000Z","spacegroup":12},{"id":"mp-1078377","created_at":"2022-09-04T14:44:20.605229Z","structure_string":"Li2 Nb2 O6\n1.0\n5.080433 -2.642424 0.000000\n5.080433 2.642424 0.000000\n3.706062 0.000000 4.365583\nLi Nb O\n2 2 6\ndirect\n0.637810 0.637810 0.637810 Li\n0.362190 0.362190 0.362190 Li\n0.855609 0.855609 0.855609 Nb\n0.144391 0.144391 0.144391 Nb\n0.783916 0.045837 0.437851 O\n0.437851 0.783916 0.045837 O\n0.045837 0.437851 0.783916 O\n0.216084 0.954163 0.562149 O\n0.562149 0.216084 0.954163 O\n0.954163 0.562149 0.216084 O\n","nsites":10,"nelements":3,"elements":["Li","Nb","O"],"chemical_system":"Li-Nb-O","density":4.189015426462623,"density_atomic":0.08531482832522691,"volume":117.21291827347063,"volume_molar":7.058726927332164,"formula_full":"Li2 Nb2 O6","formula_reduced":"LiNbO3","formula_anonymous":"ABC3","energy":-82.49632965,"energy_per_atom":-8.249632965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.37432965,"band_gap":3.7773,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.21e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.716000Z","spacegroup":148},{"id":"mp-1044729","created_at":"2022-09-04T14:44:20.271523Z","structure_string":"Pr2 V4 O12\n1.0\n5.414411 0.000000 0.000000\n0.000000 5.426325 0.000000\n0.000000 0.029116 7.618787\nPr V O\n2 4 12\ndirect\n0.009145 0.278346 0.257462 Pr\n0.509145 0.721654 0.742538 Pr\n0.002062 0.756853 0.502446 V\n0.035614 0.760569 0.006853 V\n0.535614 0.239431 0.993147 V\n0.502062 0.243147 0.497554 V\n0.053804 0.756682 0.760099 O\n0.234812 0.031751 0.474761 O\n0.219358 0.028037 0.030413 O\n0.256204 0.522447 0.026828 O\n0.251425 0.525459 0.476617 O\n0.448079 0.254594 0.760286 O\n0.553804 0.243318 0.239901 O\n0.734812 0.968249 0.525239 O\n0.719358 0.971963 0.969587 O\n0.751425 0.474541 0.523383 O\n0.756204 0.477553 0.973172 O\n0.948079 0.745406 0.239714 O\n","nsites":18,"nelements":3,"elements":["Pr","V","O"],"chemical_system":"O-Pr-V","density":5.026469381936179,"density_atomic":0.08041362719997568,"volume":223.84265735503902,"volume_molar":7.488955503802747,"formula_full":"Pr2 V4 O12","formula_reduced":"PrV2O6","formula_anonymous":"AB2C6","energy":-154.90072867,"energy_per_atom":-8.605596037222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.85672867,"band_gap":0.8094000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995382,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.878000Z","spacegroup":4},{"id":"mp-756862","created_at":"2022-09-04T14:44:19.633712Z","structure_string":"Li7 Fe5 O12\n1.0\n4.382485 2.622330 0.000000\n-4.382485 2.622330 0.000000\n0.000000 1.464108 9.556343\nLi Fe O\n7 5 12\ndirect\n0.748520 0.251480 0.000000 Li\n0.828230 0.656050 0.757991 Li\n0.667059 0.840697 0.244204 Li\n0.343950 0.171770 0.242009 Li\n0.159303 0.332941 0.755796 Li\n0.253919 0.746081 0.500000 Li\n0.077038 0.922962 0.000000 Li\n0.921962 0.078038 0.500000 Fe\n0.999974 0.511765 0.241870 Fe\n0.488235 0.000026 0.758130 Fe\n0.579327 0.420673 0.500000 Fe\n0.421126 0.578874 0.000000 Fe\n0.074956 0.253959 0.116243 O\n0.746041 0.925044 0.883757 O\n0.842866 0.339991 0.629497 O\n0.660009 0.157134 0.370503 O\n0.709421 0.546961 0.122448 O\n0.453039 0.290579 0.877552 O\n0.564577 0.729441 0.616914 O\n0.270559 0.435423 0.383086 O\n0.360147 0.839077 0.126984 O\n0.160923 0.639853 0.873016 O\n0.227265 0.058447 0.620721 O\n0.941553 0.772735 0.379279 O\n","nsites":24,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":3.929704339397744,"density_atomic":0.10926516731764337,"volume":219.64913969545213,"volume_molar":5.511491821078818,"formula_full":"Li7 Fe5 O12","formula_reduced":"Li7Fe5O12","formula_anonymous":"A5B7C12","energy":-160.58775704,"energy_per_atom":-6.691156543333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.06375704,"band_gap":0.0182999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.999252,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.415000Z","spacegroup":5},{"id":"mp-753525","created_at":"2022-09-04T14:44:20.280646Z","structure_string":"V4 O4 F12\n1.0\n5.359790 0.000000 0.000000\n0.000000 5.359790 0.000000\n0.000000 0.000000 9.212330\nV O F\n4 4 12\ndirect\n0.610372 0.920630 0.502092 V\n0.920630 0.389628 0.252092 V\n0.079370 0.610372 0.752092 V\n0.389628 0.079370 0.002092 V\n0.574855 0.171823 0.589996 O\n0.828177 0.574855 0.839996 O\n0.171823 0.425145 0.339996 O\n0.425145 0.828177 0.089996 O\n0.551642 0.297193 0.123174 F\n0.645611 0.073738 0.881579 F\n0.702807 0.551642 0.373174 F\n0.814008 0.069486 0.344434 F\n0.926262 0.645611 0.131579 F\n0.930514 0.814008 0.594434 F\n0.069486 0.185992 0.094434 F\n0.073738 0.354389 0.631579 F\n0.185992 0.930514 0.844434 F\n0.297193 0.448358 0.873174 F\n0.354389 0.926262 0.381579 F\n0.448358 0.702807 0.623174 F\n","nsites":20,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.1105838533551067,"density_atomic":0.07557270386176927,"volume":264.6458175769678,"volume_molar":7.968671824968911,"formula_full":"V4 O4 F12","formula_reduced":"VOF3","formula_anonymous":"ABC3","energy":-132.847721,"energy_per_atom":-6.642386050000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.755721,"band_gap":3.2113,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.101000Z","spacegroup":76},{"id":"mp-30420","created_at":"2022-09-04T14:44:20.281276Z","structure_string":"Sr20 Au20\n1.0\n4.819416 0.000000 0.000000\n0.000000 6.233213 0.000000\n0.000000 2.970550 40.317460\nSr Au\n20 20\ndirect\n0.750000 0.941845 0.086424 Sr\n0.250000 0.058155 0.913576 Sr\n0.750000 0.659453 0.186316 Sr\n0.250000 0.340547 0.813684 Sr\n0.750000 0.842805 0.286563 Sr\n0.250000 0.157195 0.713437 Sr\n0.750000 0.035730 0.386353 Sr\n0.250000 0.964270 0.613647 Sr\n0.750000 0.762777 0.486359 Sr\n0.250000 0.237223 0.513641 Sr\n0.750000 0.478106 0.586085 Sr\n0.250000 0.521894 0.413915 Sr\n0.750000 0.655012 0.686002 Sr\n0.250000 0.344988 0.313998 Sr\n0.750000 0.853244 0.786055 Sr\n0.250000 0.146756 0.213945 Sr\n0.750000 0.573722 0.886077 Sr\n0.250000 0.426278 0.113923 Sr\n0.750000 0.749243 0.986258 Sr\n0.250000 0.250757 0.013742 Sr\n0.750000 0.455879 0.057959 Au\n0.250000 0.544121 0.942041 Au\n0.750000 0.173583 0.158225 Au\n0.250000 0.826417 0.841775 Au\n0.750000 0.355523 0.258170 Au\n0.250000 0.644477 0.741830 Au\n0.750000 0.549329 0.358248 Au\n0.250000 0.450671 0.641752 Au\n0.750000 0.274701 0.457921 Au\n0.250000 0.725299 0.542079 Au\n0.750000 0.992534 0.557827 Au\n0.250000 0.007466 0.442173 Au\n0.750000 0.168848 0.657551 Au\n0.250000 0.831152 0.342449 Au\n0.750000 0.364640 0.757596 Au\n0.250000 0.635360 0.242404 Au\n0.750000 0.089459 0.857648 Au\n0.250000 0.910541 0.142352 Au\n0.750000 0.262366 0.957878 Au\n0.250000 0.737634 0.042122 Au\n","nsites":40,"nelements":2,"elements":["Sr","Au"],"chemical_system":"Au-Sr","density":7.80358106533422,"density_atomic":0.03302633978046494,"volume":1211.154498678657,"volume_molar":18.234357182875268,"formula_full":"Sr20 Au20","formula_reduced":"SrAu","formula_anonymous":"AB","energy":-130.44320637,"energy_per_atom":-3.2610801592500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.44320637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0352473,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.885000Z","spacegroup":11},{"id":"mp-1097175","created_at":"2022-09-04T14:44:20.533407Z","structure_string":"Nb2 Mo1 Rh1\n1.0\n-4.511167 5.440693 7.699806\n4.511167 -5.440693 7.699806\n4.511167 5.440693 -7.699806\nNb Mo Rh\n2 1 1\ndirect\n0.000000 0.243909 0.243909 Nb\n0.000000 0.756091 0.756091 Nb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Nb","Mo","Rh"],"chemical_system":"Mo-Nb-Rh","density":0.8449699424142559,"density_atomic":0.005291479177331308,"volume":755.932295290133,"volume_molar":113.80826718167665,"formula_full":"Nb2 Mo1 Rh1","formula_reduced":"Nb2MoRh","formula_anonymous":"ABC2","energy":-22.97436204,"energy_per_atom":-5.74359051,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.97436204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3188887,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.175000Z","spacegroup":71}]}