{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12157","results":[{"id":"mp-1048066","created_at":"2022-09-04T14:41:31.568549Z","structure_string":"Mg4 Nb4 Sb2 O16\n1.0\n5.368702 -0.045824 -0.207527\n0.001851 5.719592 -1.763473\n-0.351079 0.144713 10.649220\nMg Nb Sb O\n4 4 2 16\ndirect\n0.761030 0.420433 0.542385 Mg\n0.739306 0.878023 0.455478 Mg\n0.239579 0.576419 0.455517 Mg\n0.259648 0.119222 0.543010 Mg\n0.732225 0.287874 0.246954 Nb\n0.770500 0.043652 0.751660 Nb\n0.267777 0.710994 0.749986 Nb\n0.233880 0.959707 0.247303 Nb\n0.749735 0.676226 0.999823 Sb\n0.254470 0.331556 0.999237 Sb\n0.028180 0.165060 0.155752 O\n0.474457 0.009331 0.841144 O\n0.971297 0.833815 0.842857 O\n0.532810 0.983486 0.155056 O\n0.611170 0.456367 0.115379 O\n0.889394 0.339442 0.877536 O\n0.389976 0.542415 0.882974 O\n0.111054 0.658122 0.116548 O\n0.439174 0.290303 0.371286 O\n0.057776 0.916299 0.623957 O\n0.367788 0.835180 0.392373 O\n0.131083 0.440931 0.605698 O\n0.629476 0.162340 0.605312 O\n0.868344 0.555769 0.391808 O\n0.939320 0.081586 0.373237 O\n0.557134 0.704371 0.623664 O\n","nsites":26,"nelements":4,"elements":["Mg","Nb","Sb","O"],"chemical_system":"Mg-Nb-O-Sb","density":4.903476433174374,"density_atomic":0.07928541996285957,"volume":327.92914525999146,"volume_molar":7.595521046392904,"formula_full":"Mg4 Nb4 Sb2 O16","formula_reduced":"Mg2Nb2SbO8","formula_anonymous":"AB2C2D8","energy":-204.3848502,"energy_per_atom":-7.860955776923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.3928502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001591,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.872000Z","spacegroup":5},{"id":"mp-1196034","created_at":"2022-09-04T14:41:31.690040Z","structure_string":"Pr24 Si16 B8 O80\n1.0\n7.222115 0.000000 0.000000\n0.000000 9.940718 0.000000\n0.000000 0.000000 23.363591\nPr Si B O\n24 16 8 80\ndirect\n0.639932 0.008180 0.071511 Pr\n0.860068 0.508180 0.928489 Pr\n0.139932 0.991820 0.428489 Pr\n0.360068 0.491820 0.571511 Pr\n0.360068 0.991820 0.928489 Pr\n0.139932 0.491820 0.071511 Pr\n0.860068 0.008180 0.571511 Pr\n0.639932 0.508180 0.428489 Pr\n0.674536 0.365597 0.163036 Pr\n0.825464 0.865597 0.836964 Pr\n0.174536 0.634403 0.336964 Pr\n0.325464 0.134403 0.663036 Pr\n0.325464 0.634403 0.836964 Pr\n0.174536 0.134403 0.163036 Pr\n0.825464 0.365597 0.663036 Pr\n0.674536 0.865597 0.336964 Pr\n0.905029 0.232270 0.317864 Pr\n0.594971 0.732270 0.682136 Pr\n0.405029 0.767730 0.182136 Pr\n0.094971 0.267730 0.817864 Pr\n0.094971 0.767730 0.682136 Pr\n0.405029 0.267730 0.317864 Pr\n0.594971 0.232270 0.817864 Pr\n0.905029 0.732270 0.182136 Pr\n0.642092 0.122897 0.421415 Si\n0.857908 0.622897 0.578585 Si\n0.142092 0.877103 0.078585 Si\n0.357908 0.377103 0.921415 Si\n0.357908 0.877103 0.578585 Si\n0.142092 0.377103 0.421415 Si\n0.857908 0.122897 0.921415 Si\n0.642092 0.622897 0.078585 Si\n0.682619 0.062055 0.220676 Si\n0.817381 0.562055 0.779324 Si\n0.182619 0.937945 0.279324 Si\n0.317381 0.437945 0.720676 Si\n0.317381 0.937945 0.779324 Si\n0.182619 0.437945 0.220676 Si\n0.817381 0.062055 0.720676 Si\n0.682619 0.562055 0.279324 Si\n0.649275 0.253423 0.527803 B\n0.850725 0.753423 0.472197 B\n0.149275 0.746577 0.972197 B\n0.350725 0.246577 0.027803 B\n0.350725 0.746577 0.472197 B\n0.149275 0.246577 0.527803 B\n0.850725 0.253423 0.027803 B\n0.649275 0.753423 0.972197 B\n0.729751 0.236906 0.580615 O\n0.770249 0.736906 0.419385 O\n0.229751 0.763094 0.919385 O\n0.270249 0.263094 0.080615 O\n0.270249 0.763094 0.419385 O\n0.229751 0.263094 0.580615 O\n0.770249 0.236906 0.080615 O\n0.729751 0.736906 0.919385 O\n0.572154 0.368835 0.508477 O\n0.927846 0.868835 0.491523 O\n0.072154 0.631165 0.991523 O\n0.427846 0.131165 0.008477 O\n0.427846 0.631165 0.491523 O\n0.072154 0.131165 0.508477 O\n0.927846 0.368835 0.008477 O\n0.572154 0.868835 0.991523 O\n0.653340 0.135528 0.492284 O\n0.846660 0.635528 0.507716 O\n0.153340 0.864472 0.007716 O\n0.346660 0.364472 0.992284 O\n0.346660 0.864472 0.507716 O\n0.153340 0.364472 0.492284 O\n0.846660 0.135528 0.992284 O\n0.653340 0.635528 0.007716 O\n0.825454 0.048039 0.394660 O\n0.674546 0.548039 0.605340 O\n0.325454 0.951961 0.105340 O\n0.174546 0.451961 0.894660 O\n0.174546 0.951961 0.605340 O\n0.325454 0.451961 0.394660 O\n0.674546 0.048039 0.894660 O\n0.825454 0.548039 0.105340 O\n0.647313 0.273313 0.390984 O\n0.852687 0.773313 0.609016 O\n0.147313 0.726687 0.109016 O\n0.352687 0.226687 0.890984 O\n0.352687 0.726687 0.609016 O\n0.147313 0.226687 0.390984 O\n0.852687 0.273313 0.890984 O\n0.647313 0.773313 0.109016 O\n0.464136 0.037635 0.398109 O\n0.035864 0.537635 0.601891 O\n0.964136 0.962365 0.101891 O\n0.535864 0.462365 0.898109 O\n0.535864 0.962365 0.601891 O\n0.964136 0.462365 0.398109 O\n0.035864 0.037635 0.898109 O\n0.464136 0.537635 0.101891 O\n0.701093 0.896685 0.221070 O\n0.798907 0.396685 0.778930 O\n0.201093 0.103315 0.278930 O\n0.298907 0.603315 0.721070 O\n0.298907 0.103315 0.778930 O\n0.201093 0.603315 0.221070 O\n0.798907 0.896685 0.721070 O\n0.701093 0.396685 0.278930 O\n0.629372 0.098629 0.287850 O\n0.870628 0.598629 0.712150 O\n0.129372 0.901371 0.212150 O\n0.370628 0.401371 0.787850 O\n0.370628 0.901371 0.712150 O\n0.129372 0.401371 0.287850 O\n0.870628 0.098629 0.787850 O\n0.629372 0.598629 0.212150 O\n0.534021 0.108187 0.171629 O\n0.965979 0.608187 0.828371 O\n0.034021 0.891813 0.328371 O\n0.465979 0.391813 0.671629 O\n0.465979 0.891813 0.828371 O\n0.034021 0.391813 0.171629 O\n0.965979 0.108187 0.671629 O\n0.534021 0.608187 0.328371 O\n0.869028 0.155095 0.210895 O\n0.630972 0.655095 0.789105 O\n0.369028 0.844905 0.289105 O\n0.130972 0.344905 0.710895 O\n0.130972 0.844905 0.789105 O\n0.369028 0.344905 0.210895 O\n0.630972 0.155095 0.710895 O\n0.869028 0.655095 0.289105 O\n","nsites":128,"nelements":4,"elements":["Pr","Si","B","O"],"chemical_system":"B-O-Pr-Si","density":5.145522730255607,"density_atomic":0.07631118917729449,"volume":1677.3424890892006,"volume_molar":7.891556696893696,"formula_full":"Pr24 Si16 B8 O80","formula_reduced":"Pr3Si2BO10","formula_anonymous":"AB2C3D10","energy":-1107.23552286,"energy_per_atom":-8.65027752234375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1052.27552286,"band_gap":4.7116,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0728392,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.188000Z","spacegroup":61},{"id":"mp-1521044","created_at":"2022-09-04T14:41:31.815095Z","structure_string":"Ba1 Eu1 V1 Bi1 O6\n1.0\n-0.000000 -4.191852 -4.191852\n4.191852 -0.000000 -4.191852\n4.191852 -4.191852 0.000000\nBa Eu V Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 V\n0.000000 -0.000000 -0.000000 Bi\n0.727336 0.272664 0.272664 O\n0.272664 0.727336 0.727336 O\n0.727336 0.272664 0.727336 O\n0.272664 0.727336 0.272664 O\n0.727336 0.727336 0.272664 O\n0.272664 0.272664 0.727336 O\n","nsites":10,"nelements":5,"elements":["Ba","Eu","V","Bi","O"],"chemical_system":"Ba-Bi-Eu-O-V","density":7.272804242289242,"density_atomic":0.06788161745673313,"volume":147.31528762369092,"volume_molar":8.871533981697526,"formula_full":"Ba1 Eu1 V1 Bi1 O6","formula_reduced":"BaEuVBiO6","formula_anonymous":"ABCDE6","energy":-79.82940105,"energy_per_atom":-7.982940105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.00740105,"band_gap":0.1335999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.017000Z","spacegroup":216},{"id":"mp-1185744","created_at":"2022-09-04T14:41:31.082743Z","structure_string":"Mg17 Al11 Rh1\n1.0\n7.435416 5.229812 0.000000\n-7.435416 5.229812 0.000000\n0.000000 5.103268 7.325654\nMg Al Rh\n17 11 1\ndirect\n0.388118 0.388118 0.283760 Mg\n0.002762 0.002762 0.645743 Mg\n0.683895 0.683895 0.708182 Mg\n0.651288 0.651288 0.345185 Mg\n0.003519 0.003519 0.004715 Mg\n0.316056 0.592642 0.001922 Mg\n0.006689 0.315916 0.388644 Mg\n0.400308 0.717053 0.599746 Mg\n0.004318 0.339538 0.006572 Mg\n0.285380 0.682621 0.315854 Mg\n0.599103 0.999055 0.685573 Mg\n0.999055 0.599103 0.685573 Mg\n0.682621 0.285380 0.315854 Mg\n0.339538 0.004318 0.006572 Mg\n0.717053 0.400308 0.599746 Mg\n0.315916 0.006689 0.388644 Mg\n0.592642 0.316056 0.001922 Mg\n0.359716 0.359716 0.837906 Al\n0.636095 0.815270 0.997440 Al\n0.827322 0.007856 0.360716 Al\n0.184060 0.368538 0.634277 Al\n0.820499 0.185453 0.814966 Al\n0.631911 0.998131 0.189843 Al\n0.998131 0.631911 0.189843 Al\n0.185453 0.820499 0.814966 Al\n0.368538 0.184060 0.634277 Al\n0.007856 0.827322 0.360716 Al\n0.815270 0.636095 0.997440 Al\n0.177269 0.177269 0.183503 Rh\n","nsites":29,"nelements":3,"elements":["Mg","Al","Rh"],"chemical_system":"Al-Mg-Rh","density":2.3692547251984664,"density_atomic":0.050901461347906164,"volume":569.7282402520437,"volume_molar":11.830978130154845,"formula_full":"Mg17 Al11 Rh1","formula_reduced":"Mg17Al11Rh","formula_anonymous":"AB11C17","energy":-78.25470972,"energy_per_atom":-2.6984382662068964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.25470972,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014103,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.800000Z","spacegroup":8},{"id":"mp-1077053","created_at":"2022-09-04T14:41:31.379724Z","structure_string":"Cs2 Mn2 Bi2\n1.0\n4.961726 0.000000 0.000000\n0.000000 4.961726 0.000000\n0.000000 0.000000 9.171740\nCs Mn Bi\n2 2 2\ndirect\n0.000000 0.500000 0.352709 Cs\n0.500000 0.000000 0.647291 Cs\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.826986 Bi\n0.500000 0.000000 0.173014 Bi\n","nsites":6,"nelements":3,"elements":["Cs","Mn","Bi"],"chemical_system":"Bi-Cs-Mn","density":5.836595830604516,"density_atomic":0.02657259449684835,"volume":225.79654390585128,"volume_molar":22.66297617537595,"formula_full":"Cs2 Mn2 Bi2","formula_reduced":"CsMnBi","formula_anonymous":"ABC","energy":-27.7007847,"energy_per_atom":-4.61679745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.7007847,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.5665277,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.407000Z","spacegroup":129},{"id":"mp-1206523","created_at":"2022-09-04T14:41:31.383425Z","structure_string":"Rb2 Mn1 F4\n1.0\n-2.160975 2.160975 7.042146\n2.160975 -2.160975 7.042146\n2.160975 2.160975 -7.042146\nRb Mn F\n2 1 4\ndirect\n0.352681 0.352681 0.000000 Rb\n0.647319 0.647319 0.000000 Rb\n0.000000 0.000000 0.000000 Mn\n0.153080 0.153080 0.000000 F\n0.846920 0.846920 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Rb","Mn","F"],"chemical_system":"F-Mn-Rb","density":3.8106635487175913,"density_atomic":0.0532149353268357,"volume":131.54201836396817,"volume_molar":11.316636434890302,"formula_full":"Rb2 Mn1 F4","formula_reduced":"Rb2MnF4","formula_anonymous":"AB2C4","energy":-39.67069422,"energy_per_atom":-5.667242031428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.15469422,"band_gap":3.0201,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0015085,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.503000Z","spacegroup":139},{"id":"mp-1248327","created_at":"2022-09-04T14:41:31.399268Z","structure_string":"Ti6 Al6 O18\n1.0\n5.497890 0.007103 0.000014\n-2.742756 4.760958 0.000132\n0.000121 -0.000003 12.001781\nTi Al O\n6 6 18\ndirect\n0.669370 0.957667 0.500676 Ti\n0.621234 0.620744 0.001992 Ti\n0.043538 0.332023 0.001540 Ti\n0.955703 0.666088 0.500924 Ti\n0.377896 0.379798 0.503295 Ti\n0.332382 0.043017 0.001391 Ti\n0.663148 0.334297 0.252069 Al\n0.336043 0.666660 0.751996 Al\n0.667338 0.336035 0.752019 Al\n0.333662 0.663191 0.251895 Al\n0.000286 0.000552 0.751058 Al\n0.999390 0.999832 0.251009 Al\n0.699478 0.330654 0.002572 O\n0.301569 0.671443 0.503039 O\n0.666235 0.299433 0.503240 O\n0.331590 0.699282 0.002559 O\n0.965103 0.964446 0.999786 O\n0.036273 0.034273 0.498729 O\n0.335188 0.005410 0.826505 O\n0.340611 0.341874 0.329275 O\n0.993523 0.663461 0.326733 O\n0.005566 0.335124 0.827041 O\n0.659219 0.658989 0.829230 O\n0.665670 0.995221 0.326681 O\n0.330692 0.004335 0.176890 O\n0.336681 0.338162 0.674193 O\n0.994952 0.668462 0.676642 O\n0.004812 0.330893 0.176343 O\n0.662366 0.662417 0.174000 O\n0.670483 0.996218 0.676676 O\n","nsites":30,"nelements":3,"elements":["Ti","Al","O"],"chemical_system":"Al-O-Ti","density":3.893182534470985,"density_atomic":0.09542497221436214,"volume":314.38311485811244,"volume_molar":6.310864567476002,"formula_full":"Ti6 Al6 O18","formula_reduced":"TiAlO3","formula_anonymous":"ABC3","energy":-252.73745315000005,"energy_per_atom":-8.424581771666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.37145315,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3100538,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.397000Z","spacegroup":63},{"id":"mp-542618","created_at":"2022-09-04T14:41:31.731379Z","structure_string":"Tl4 Mo18 S22\n1.0\n12.174293 -4.704119 0.000000\n12.174293 4.704119 0.000000\n10.356632 0.000000 7.942437\nTl Mo S\n4 18 22\ndirect\n0.332191 0.332191 0.332191 Tl\n0.770122 0.770122 0.770122 Tl\n0.229878 0.229878 0.229878 Tl\n0.667809 0.667809 0.667809 Tl\n0.546733 0.694113 0.357754 Mo\n0.252510 0.923781 0.110948 Mo\n0.870393 0.201643 0.019982 Mo\n0.889052 0.747490 0.076219 Mo\n0.642246 0.453267 0.305887 Mo\n0.129607 0.798357 0.980018 Mo\n0.201643 0.019982 0.870393 Mo\n0.019982 0.870393 0.201643 Mo\n0.076219 0.889052 0.747490 Mo\n0.798357 0.980018 0.129607 Mo\n0.923781 0.110948 0.252510 Mo\n0.980018 0.129607 0.798357 Mo\n0.357754 0.546733 0.694113 Mo\n0.694113 0.357754 0.546733 Mo\n0.305887 0.642246 0.453267 Mo\n0.747490 0.076219 0.889052 Mo\n0.110948 0.252510 0.923781 Mo\n0.453267 0.305887 0.642246 Mo\n0.584363 0.584363 0.584363 S\n0.402718 0.063136 0.800791 S\n0.936864 0.199209 0.597282 S\n0.948916 0.672613 0.281762 S\n0.840357 0.497249 0.242175 S\n0.800791 0.402718 0.063136 S\n0.327387 0.718238 0.051084 S\n0.415637 0.415637 0.415637 S\n0.852754 0.852754 0.852754 S\n0.242175 0.840357 0.497249 S\n0.063136 0.800791 0.402718 S\n0.281762 0.948916 0.672613 S\n0.597282 0.936864 0.199209 S\n0.147246 0.147246 0.147246 S\n0.757825 0.159643 0.502751 S\n0.159643 0.502751 0.757825 S\n0.497249 0.242175 0.840357 S\n0.672613 0.281762 0.948916 S\n0.051084 0.327387 0.718238 S\n0.718238 0.051084 0.327387 S\n0.199209 0.597282 0.936864 S\n0.502751 0.757825 0.159643 S\n","nsites":44,"nelements":3,"elements":["Tl","Mo","S"],"chemical_system":"Mo-S-Tl","density":5.932135010695674,"density_atomic":0.04836674408420199,"volume":909.7159801246928,"volume_molar":12.450994736209687,"formula_full":"Tl4 Mo18 S22","formula_reduced":"Tl2Mo9S11","formula_anonymous":"A2B9C11","energy":-334.79376101,"energy_per_atom":-7.608949113863637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-323.72776101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057015,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.512000Z","spacegroup":148},{"id":"mp-1110892","created_at":"2022-09-04T14:41:31.738587Z","structure_string":"K2 Na1 Pr1 Cl6\n1.0\n0.000000 5.482563 5.482563\n5.482563 0.000000 5.482563\n5.482563 5.482563 0.000000\nK Na Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.750102 0.249898 0.249898 Cl\n0.249898 0.249898 0.750102 Cl\n0.249898 0.750102 0.750102 Cl\n0.249898 0.750102 0.249898 Cl\n0.750102 0.249898 0.750102 Cl\n0.750102 0.750102 0.249898 Cl\n","nsites":10,"nelements":4,"elements":["K","Na","Pr","Cl"],"chemical_system":"Cl-K-Na-Pr","density":2.2913959570994735,"density_atomic":0.03034024698195445,"volume":329.5952075125732,"volume_molar":19.848687334621257,"formula_full":"K2 Na1 Pr1 Cl6","formula_reduced":"K2NaPrCl6","formula_anonymous":"ABC2D6","energy":-43.31756159999999,"energy_per_atom":-4.331756159999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.6335616,"band_gap":4.7855,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002458,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.906000Z","spacegroup":225},{"id":"mp-756291","created_at":"2022-09-04T14:41:31.742004Z","structure_string":"Li2 V4 Si4 O16\n1.0\n5.733282 0.000000 0.000000\n0.000000 5.827554 0.000000\n0.000000 0.000000 7.986691\nLi V Si O\n2 4 4 16\ndirect\n0.000000 0.825633 0.750000 Li\n0.000000 0.174367 0.250000 Li\n0.779999 0.500000 0.000000 V\n0.220001 0.500000 0.500000 V\n0.500000 0.784667 0.750000 V\n0.500000 0.215333 0.250000 V\n0.740329 0.734757 0.376808 Si\n0.259671 0.734757 0.123192 Si\n0.740329 0.265243 0.623192 Si\n0.259671 0.265243 0.876808 Si\n0.739851 0.504772 0.245675 O\n0.260149 0.504772 0.254325 O\n0.504828 0.721669 0.502600 O\n0.495172 0.721669 0.997400 O\n0.983960 0.723459 0.489375 O\n0.016040 0.723459 0.010625 O\n0.737833 0.975372 0.276413 O\n0.262167 0.975372 0.223587 O\n0.737833 0.024628 0.723587 O\n0.262167 0.024628 0.776413 O\n0.983960 0.276541 0.510625 O\n0.016040 0.276541 0.989375 O\n0.495172 0.278331 0.002600 O\n0.504828 0.278331 0.497400 O\n0.739851 0.495228 0.754325 O\n0.260149 0.495228 0.745675 O\n","nsites":26,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":3.6464956089177587,"density_atomic":0.09743541865488163,"volume":266.8434164797153,"volume_molar":6.180648518923652,"formula_full":"Li2 V4 Si4 O16","formula_reduced":"LiV2(SiO4)2","formula_anonymous":"AB2C2D8","energy":-211.48040477,"energy_per_atom":-8.133861721923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.68840477,"band_gap":0.6507999999999994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2886134,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.155000Z","spacegroup":17},{"id":"mp-976190","created_at":"2022-09-04T14:41:31.815844Z","structure_string":"K6 Tl2 Au10\n1.0\n-2.888228 4.291580 10.079031\n2.888228 -4.291580 10.079031\n2.888228 4.291580 -10.079031\nK Tl Au\n6 2 10\ndirect\n0.794668 0.413617 0.381051 K\n0.532567 0.913617 0.618949 K\n0.130857 0.750000 0.380857 K\n0.869143 0.250000 0.619143 K\n0.467433 0.086383 0.381051 K\n0.205332 0.586383 0.618949 K\n0.415906 0.250000 0.165906 Tl\n0.584094 0.750000 0.834094 Tl\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.189709 0.189709 0.500000 Au\n0.189709 0.689709 0.000000 Au\n0.313492 0.356185 0.957307 Au\n0.898878 0.856185 0.042693 Au\n0.101122 0.143815 0.957307 Au\n0.686508 0.643815 0.042693 Au\n0.810291 0.310291 0.000000 Au\n0.810291 0.810291 0.500000 Au\n","nsites":18,"nelements":3,"elements":["K","Tl","Au"],"chemical_system":"Au-K-Tl","density":8.682898408477838,"density_atomic":0.03602011094734628,"volume":499.7208372376243,"volume_molar":16.718829014166797,"formula_full":"K6 Tl2 Au10","formula_reduced":"K3TlAu5","formula_anonymous":"AB3C5","energy":-49.44338657,"energy_per_atom":-2.7468548094444447,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.44338657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014651,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.704000Z","spacegroup":74},{"id":"mp-760104","created_at":"2022-09-04T14:41:31.085773Z","structure_string":"In1 Fe29 O40\n1.0\n-6.812199 6.812199 4.317011\n6.812199 -6.812199 4.317011\n6.812199 6.812199 -4.317011\nIn Fe O\n1 29 40\ndirect\n0.750000 0.250000 0.500000 In\n0.078848 0.729392 0.548337 Fe\n0.679420 0.531063 0.451276 Fe\n0.469489 0.921152 0.650544 Fe\n0.201216 0.601074 0.801774 Fe\n0.398926 0.200700 0.600142 Fe\n0.181055 0.530511 0.451663 Fe\n0.875538 0.625597 0.752199 Fe\n0.771856 0.320580 0.851643 Fe\n0.973586 0.923924 0.647549 Fe\n0.079787 0.228144 0.548724 Fe\n0.554535 0.653959 0.701714 Fe\n0.346041 0.047755 0.900576 Fe\n0.468937 0.920213 0.148357 Fe\n0.076076 0.723625 0.049662 Fe\n0.673978 0.524253 0.949645 Fe\n0.876661 0.124462 0.750059 Fe\n0.275667 0.326022 0.850276 Fe\n0.799300 0.399442 0.198226 Fe\n0.000000 0.000000 0.000000 Fe\n0.374403 0.126602 0.249941 Fe\n0.673963 0.026414 0.950338 Fe\n0.574609 0.724333 0.050355 Fe\n0.270608 0.818945 0.349456 Fe\n0.475747 0.425391 0.149724 Fe\n0.952245 0.852821 0.298286 Fe\n0.147179 0.445465 0.099424 Fe\n0.276375 0.326037 0.352451 Fe\n0.873398 0.123339 0.247801 Fe\n0.600558 0.798784 0.399858 Fe\n0.424770 0.778805 0.445301 O\n0.221195 0.666495 0.645965 O\n0.333505 0.979470 0.554699 O\n0.826453 0.495969 0.562008 O\n0.735556 0.173547 0.669516 O\n0.926572 0.788120 0.457566 O\n0.530994 0.073428 0.861547 O\n0.330553 0.469006 0.542434 O\n0.107655 0.868098 0.745946 O\n0.913528 0.254161 0.944534 O\n0.745839 0.690374 0.659368 O\n0.634328 0.391425 0.756546 O\n0.831139 0.977965 0.561911 O\n0.022035 0.583946 0.853174 O\n0.217019 0.173901 0.657450 O\n0.914478 0.749305 0.945642 O\n0.730772 0.168861 0.146826 O\n0.826099 0.483549 0.043118 O\n0.031165 0.085522 0.834827 O\n0.122219 0.365672 0.757098 O\n0.211880 0.669447 0.138453 O\n0.430101 0.288983 0.952734 O\n0.522632 0.569899 0.858881 O\n0.309626 0.968994 0.055466 O\n0.638291 0.892345 0.760443 O\n0.504031 0.066039 0.330484 O\n0.131902 0.877848 0.239557 O\n0.336249 0.477368 0.047266 O\n0.711017 0.663751 0.141119 O\n0.608575 0.365121 0.242902 O\n0.250695 0.196337 0.165173 O\n0.020530 0.575230 0.354035 O\n0.803663 0.968835 0.054358 O\n0.440431 0.782981 0.956882 O\n0.416054 0.269228 0.438089 O\n0.516451 0.559569 0.342550 O\n0.634879 0.877781 0.243454 O\n0.031006 0.086472 0.340632 O\n0.122152 0.361709 0.254054 O\n0.933961 0.264444 0.437992 O\n","nsites":70,"nelements":3,"elements":["In","Fe","O"],"chemical_system":"Fe-In-O","density":4.920018185633732,"density_atomic":0.08735348600205667,"volume":801.3418033294275,"volume_molar":6.893990195031499,"formula_full":"In1 Fe29 O40","formula_reduced":"InFe29O40","formula_anonymous":"AB29C40","energy":-558.31179502,"energy_per_atom":-7.975882786,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.4077950199999,"band_gap":0.8813999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":134.9997747,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.067000Z","spacegroup":82}]}