{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10175","results":[{"id":"mp-601902","created_at":"2022-09-04T14:40:26.540837Z","structure_string":"Tl8 H4 Pt4 C20 N20 O4\n1.0\n20.629450 0.000000 0.000000\n0.000000 6.781692 0.000000\n0.000000 4.018612 8.287683\nTl H Pt C N O\n8 4 4 20 20 4\ndirect\n0.281712 0.735393 0.823590 Tl\n0.781712 0.264607 0.676410 Tl\n0.218288 0.735393 0.323590 Tl\n0.417844 0.360190 0.708729 Tl\n0.917844 0.639810 0.791271 Tl\n0.582156 0.639810 0.291271 Tl\n0.082156 0.360190 0.208729 Tl\n0.718288 0.264607 0.176410 Tl\n0.084204 0.586799 0.446556 H\n0.584204 0.413201 0.053444 H\n0.415796 0.586799 0.946556 H\n0.915796 0.413201 0.553444 H\n0.119474 0.228581 0.692319 Pt\n0.380526 0.228581 0.192319 Pt\n0.880526 0.771419 0.307681 Pt\n0.619474 0.771419 0.807681 Pt\n0.085928 0.432238 0.782833 C\n0.212103 0.320678 0.703304 C\n0.126159 0.986628 0.913551 C\n0.414072 0.432238 0.282833 C\n0.287897 0.320678 0.203304 C\n0.373841 0.986628 0.413551 C\n0.026907 0.154255 0.667360 C\n0.973093 0.845745 0.332640 C\n0.526907 0.845745 0.832640 C\n0.585928 0.567762 0.717167 C\n0.348568 0.031510 0.094657 C\n0.712103 0.679322 0.796696 C\n0.626159 0.013372 0.586449 C\n0.651432 0.968490 0.905343 C\n0.151432 0.031510 0.594657 C\n0.473093 0.154255 0.167360 C\n0.787897 0.679322 0.296696 C\n0.914072 0.567762 0.217167 C\n0.873841 0.013372 0.086449 C\n0.848568 0.968490 0.405343 C\n0.472588 0.876380 0.853461 N\n0.527412 0.123620 0.146539 N\n0.867487 0.153115 0.955089 N\n0.765540 0.619808 0.798172 N\n0.367487 0.846885 0.544911 N\n0.171454 0.931633 0.528058 N\n0.671454 0.068367 0.971942 N\n0.132513 0.846885 0.044911 N\n0.972588 0.123620 0.646539 N\n0.437323 0.540065 0.339908 N\n0.265540 0.380192 0.701828 N\n0.632513 0.153115 0.455089 N\n0.734460 0.619808 0.298172 N\n0.234460 0.380192 0.201828 N\n0.937323 0.459935 0.160092 N\n0.562677 0.459935 0.660092 N\n0.027412 0.876380 0.353461 N\n0.328546 0.931633 0.028058 N\n0.062677 0.540065 0.839908 N\n0.828546 0.068367 0.471942 N\n0.384073 0.473702 0.954589 O\n0.884073 0.526298 0.545411 O\n0.115927 0.473702 0.454589 O\n0.615927 0.526298 0.045411 O\n","nsites":60,"nelements":6,"elements":["Tl","H","Pt","C","N","O"],"chemical_system":"C-H-N-O-Pt-Tl","density":4.301880495364754,"density_atomic":0.05174786160368393,"volume":1159.4682010150657,"volume_molar":11.637467855427834,"formula_full":"Tl8 H4 Pt4 C20 N20 O4","formula_reduced":"Tl2HPtC5N5O","formula_anonymous":"ABCD2E5F5","energy":-430.24470974,"energy_per_atom":-7.170745162333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-420.27670974,"band_gap":3.2463,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002608,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.074000Z","spacegroup":14},{"id":"mp-1111508","created_at":"2022-09-04T14:40:26.538249Z","structure_string":"Na2 Er1 Cu1 Cl6\n1.0\n0.000000 5.105572 5.105572\n5.105572 0.000000 5.105572\n5.105572 5.105572 0.000000\nNa Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.745891 0.254109 0.254109 Cl\n0.254109 0.254109 0.745891 Cl\n0.254109 0.745891 0.745891 Cl\n0.254109 0.745891 0.254109 Cl\n0.745891 0.254109 0.745891 Cl\n0.745891 0.745891 0.254109 Cl\n","nsites":10,"nelements":4,"elements":["Na","Er","Cu","Cl"],"chemical_system":"Cl-Cu-Er-Na","density":3.0538017167448737,"density_atomic":0.03756961884574259,"volume":266.1725167098203,"volume_molar":16.0292836206999,"formula_full":"Na2 Er1 Cu1 Cl6","formula_reduced":"Na2ErCuCl6","formula_anonymous":"ABC2D6","energy":-41.67057623,"energy_per_atom":-4.167057623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.98657623,"band_gap":1.6989999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006289,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.776000Z","spacegroup":225},{"id":"mp-1094454","created_at":"2022-09-04T14:40:26.532693Z","structure_string":"Y2 Mg4\n1.0\n1.693286 6.535846 0.000000\n-1.693286 6.535846 0.000000\n0.000000 1.931591 7.090036\nY Mg\n2 4\ndirect\n0.519183 0.519183 0.225809 Y\n0.480817 0.480817 0.774191 Y\n0.806530 0.806530 0.128585 Mg\n0.160673 0.160673 0.459371 Mg\n0.839327 0.839327 0.540629 Mg\n0.193470 0.193470 0.871415 Mg\n","nsites":6,"nelements":2,"elements":["Y","Mg"],"chemical_system":"Mg-Y","density":2.9101896137033636,"density_atomic":0.03823320329562333,"volume":156.93165842284625,"volume_molar":15.751075612043662,"formula_full":"Y2 Mg4","formula_reduced":"YMg2","formula_anonymous":"AB2","energy":-19.61497439,"energy_per_atom":-3.2691623983333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.61497439,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0085383,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.066000Z","spacegroup":12},{"id":"mp-1213922","created_at":"2022-09-04T14:40:26.532574Z","structure_string":"Cl8 O8\n1.0\n-7.523461 7.523461 8.143705\n7.523461 -7.523461 8.143705\n7.523461 7.523461 -8.143705\nCl O\n8 8\ndirect\n0.262386 0.195857 0.066529 Cl\n0.129328 0.195857 0.933471 Cl\n0.945857 0.379328 0.433471 Cl\n0.620672 0.054143 0.566529 Cl\n0.487614 0.054143 0.433471 Cl\n0.945857 0.512386 0.566529 Cl\n0.804143 0.870672 0.066529 Cl\n0.804143 0.737614 0.933471 Cl\n0.333724 0.087404 0.246321 O\n0.841083 0.087404 0.753679 O\n0.837404 0.091083 0.253679 O\n0.908917 0.162596 0.746321 O\n0.416276 0.162596 0.253679 O\n0.837404 0.583724 0.746321 O\n0.912596 0.158917 0.246321 O\n0.912596 0.666276 0.753679 O\n","nsites":16,"nelements":2,"elements":["Cl","O"],"chemical_system":"Cl-O","density":0.37070406560715863,"density_atomic":0.008677659600570875,"volume":1843.8151225645463,"volume_molar":69.39821377187718,"formula_full":"Cl8 O8","formula_reduced":"ClO","formula_anonymous":"AB","energy":-55.14594911,"energy_per_atom":-3.446621819375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.85794911,"band_gap":1.6924,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9729937,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.815000Z","spacegroup":141},{"id":"mp-16430","created_at":"2022-09-04T14:40:26.528353Z","structure_string":"Pr1 Fe4 P12\n1.0\n-3.909427 3.909427 3.909427\n3.909427 -3.909427 3.909427\n3.909427 3.909427 -3.909427\nPr Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.848170 0.646571 0.494740 P\n0.848170 0.353429 0.201599 P\n0.151830 0.646571 0.798401 P\n0.353429 0.505260 0.151830 P\n0.505260 0.151830 0.353429 P\n0.151830 0.353429 0.505260 P\n0.646571 0.798401 0.151830 P\n0.201599 0.848170 0.353429 P\n0.646571 0.494740 0.848170 P\n0.798401 0.151830 0.646571 P\n0.353429 0.201599 0.848170 P\n0.494740 0.848170 0.646571 P\n","nsites":17,"nelements":3,"elements":["Pr","Fe","P"],"chemical_system":"Fe-P-Pr","density":5.113420903587575,"density_atomic":0.0711294754425299,"volume":239.00077842884414,"volume_molar":8.466448996753359,"formula_full":"Pr1 Fe4 P12","formula_reduced":"Pr(FeP3)4","formula_anonymous":"AB4C12","energy":-113.68637125,"energy_per_atom":-6.6874336029411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.68637125,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0134762,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.278000Z","spacegroup":204},{"id":"mp-864674","created_at":"2022-09-04T14:40:26.527631Z","structure_string":"Ho2 Al1 Zn1\n1.0\n0.000000 3.579718 3.579718\n3.579718 0.000000 3.579718\n3.579718 3.579718 0.000000\nHo Al Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n","nsites":4,"nelements":3,"elements":["Ho","Al","Zn"],"chemical_system":"Al-Ho-Zn","density":7.642642159965987,"density_atomic":0.04359970483362994,"volume":91.74374035933069,"volume_molar":13.812342957319558,"formula_full":"Ho2 Al1 Zn1","formula_reduced":"Ho2AlZn","formula_anonymous":"ABC2","energy":-15.69541076,"energy_per_atom":-3.92385269,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.69541076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017903,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.820000Z","spacegroup":225},{"id":"mp-1219736","created_at":"2022-09-04T14:40:26.519085Z","structure_string":"Pr2 S2 O2\n1.0\n-1.960638 2.328872 6.326660\n1.960638 -2.328872 6.326660\n1.960638 2.328872 -6.326660\nPr S O\n2 2 2\ndirect\n0.663337 0.663337 0.000000 Pr\n0.336663 0.336663 0.000000 Pr\n0.222159 0.000000 0.222159 S\n0.777841 0.000000 0.777841 S\n0.766789 0.266789 0.500000 O\n0.233211 0.733211 0.500000 O\n","nsites":6,"nelements":3,"elements":["Pr","S","O"],"chemical_system":"O-Pr-S","density":5.431241891521377,"density_atomic":0.05192466798712317,"volume":115.55201472810464,"volume_molar":11.59784162990399,"formula_full":"Pr2 S2 O2","formula_reduced":"PrSO","formula_anonymous":"ABC","energy":-44.95992445,"energy_per_atom":-7.493320741666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.57992445,"band_gap":0.6284000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.22e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.979000Z","spacegroup":71},{"id":"mp-1353484","created_at":"2022-09-04T14:40:26.515215Z","structure_string":"Li2 V4 P8 H4 O32\n1.0\n7.778587 0.000000 0.000000\n-1.919355 9.081692 0.000000\n-1.947782 -4.627617 7.814343\nLi V P H O\n2 4 8 4 32\ndirect\n0.643850 0.630275 0.459246 Li\n0.856067 0.128078 0.658321 Li\n0.495774 0.010884 0.240263 V\n0.012515 0.506696 0.499985 V\n0.998065 0.497374 0.997653 V\n0.495516 0.996284 0.753516 V\n0.732004 0.353299 0.253098 P\n0.735039 0.350124 0.752017 P\n0.767444 0.848696 0.644261 P\n0.765407 0.853074 0.146409 P\n0.231934 0.149340 0.354490 P\n0.233942 0.153247 0.850775 P\n0.268412 0.648726 0.750080 P\n0.264104 0.655596 0.238336 P\n0.487205 0.508342 0.759397 H\n0.507731 0.494461 0.242309 H\n0.012637 0.007210 0.484248 H\n0.984010 0.992389 0.017274 H\n0.947943 0.948510 0.123932 O\n0.655440 0.952233 0.176603 O\n0.366757 0.166520 0.014039 O\n0.323405 0.834909 0.219680 O\n0.848120 0.445326 0.625944 O\n0.839820 0.441815 0.126006 O\n0.670036 0.173493 0.271828 O\n0.635288 0.829241 0.485986 O\n0.565842 0.458611 0.677047 O\n0.553153 0.452612 0.179597 O\n0.340852 0.059651 0.314907 O\n0.171672 0.328096 0.194294 O\n0.189992 0.332649 0.697299 O\n0.936271 0.958248 0.613491 O\n0.869692 0.337013 0.928007 O\n0.862279 0.329154 0.430574 O\n0.136923 0.668078 0.575170 O\n0.127679 0.666053 0.067904 O\n0.053523 0.047690 0.378547 O\n0.826862 0.668171 0.803147 O\n0.812181 0.679596 0.310769 O\n0.656769 0.939000 0.680923 O\n0.447202 0.546760 0.825419 O\n0.440992 0.555953 0.314385 O\n0.365027 0.165679 0.509764 O\n0.318787 0.825481 0.728257 O\n0.157981 0.554145 0.877826 O\n0.151160 0.568336 0.363754 O\n0.691364 0.173062 0.770852 O\n0.635857 0.833797 0.991547 O\n0.352024 0.061112 0.823129 O\n0.057452 0.056943 0.876676 O\n","nsites":50,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.9522804767818607,"density_atomic":0.09057535644626609,"volume":552.026533063246,"volume_molar":6.648762970723324,"formula_full":"Li2 V4 P8 H4 O32","formula_reduced":"LiV2P4(HO8)2","formula_anonymous":"AB2C2D4E16","energy":-213.19145835,"energy_per_atom":-4.263829167,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.69145835,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5473848,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.170000Z","spacegroup":1},{"id":"mp-752970","created_at":"2022-09-04T14:40:26.509271Z","structure_string":"V4 O4 F8\n1.0\n-5.035785 0.000012 -0.000011\n-0.000023 6.230723 -4.375520\n-0.000003 -3.210066 -4.161656\nV O F\n4 4 8\ndirect\n0.499860 0.499970 0.500122 V\n0.499852 0.000009 0.499926 V\n0.999937 0.499989 0.000024 V\n0.999965 0.999936 0.999941 V\n0.786209 0.535167 0.285309 O\n0.786199 0.964883 0.714697 O\n0.213972 0.034958 0.285283 O\n0.213998 0.465101 0.714727 O\n0.889402 0.250003 0.999997 F\n0.704191 0.928190 0.203315 F\n0.704229 0.571805 0.796667 F\n0.605671 0.250002 0.499973 F\n0.394390 0.750007 0.499990 F\n0.295790 0.428326 0.203318 F\n0.295783 0.071662 0.796677 F\n0.110554 0.749991 0.000035 F\n","nsites":16,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.4623896940189276,"density_atomic":0.0794795267625974,"volume":201.30970391647458,"volume_molar":7.576971083368333,"formula_full":"V4 O4 F8","formula_reduced":"VOF2","formula_anonymous":"ABC2","energy":-116.16690897,"energy_per_atom":-7.260431810625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.92290897,"band_gap":0.2555999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0006341,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.300000Z","spacegroup":13},{"id":"mp-1234083","created_at":"2022-09-04T14:40:26.508917Z","structure_string":"Ba3 Ca1 Ti3 O8\n1.0\n5.806002 0.022237 0.907145\n-2.884028 5.037581 -0.906288\n1.012814 -0.589384 8.635201\nBa Ca Ti O\n3 1 3 8\ndirect\n0.982268 0.017594 0.009618 Ba\n0.383977 0.615635 0.737911 Ba\n0.583646 0.416303 0.248332 Ba\n0.813897 0.185983 0.468562 Ca\n0.088301 0.911132 0.600113 Ti\n0.299397 0.700463 0.140016 Ti\n0.691674 0.307874 0.854439 Ti\n0.980445 0.524514 0.989277 O\n0.087628 0.429977 0.264571 O\n0.474931 0.019341 0.989134 O\n0.570324 0.912938 0.264311 O\n0.415907 0.097879 0.674994 O\n0.485666 0.514311 0.981046 O\n0.901566 0.583588 0.675182 O\n0.900091 0.099279 0.704379 O\n","nsites":15,"nelements":4,"elements":["Ba","Ca","Ti","O"],"chemical_system":"Ba-Ca-O-Ti","density":4.8667879219675845,"density_atomic":0.06075092514767753,"volume":246.90982011445865,"volume_molar":9.912837945036994,"formula_full":"Ba3 Ca1 Ti3 O8","formula_reduced":"Ba3CaTi3O8","formula_anonymous":"AB3C3D8","energy":-116.4874866,"energy_per_atom":-7.76583244,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.9914866,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0264007,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.945000Z","spacegroup":8},{"id":"mp-1038761","created_at":"2022-09-04T14:40:26.507486Z","structure_string":"Mg6 Bi6\n1.0\n5.332016 0.000000 0.000000\n0.000000 3.542926 0.000000\n0.000000 0.000000 17.738614\nMg Bi\n6 6\ndirect\n-0.000000 0.500000 0.164571 Mg\n0.500000 0.500000 0.060227 Mg\n0.500000 0.000000 0.213718 Mg\n-0.000000 0.000000 0.664571 Mg\n0.500000 -0.000000 0.560227 Mg\n0.500000 0.500000 0.713718 Mg\n0.000000 0.000000 0.018030 Bi\n0.000000 -0.000000 0.305510 Bi\n0.500000 0.500000 0.404610 Bi\n0.000000 0.500000 0.518030 Bi\n-0.000000 0.500000 0.805510 Bi\n0.500000 0.000000 0.904610 Bi\n","nsites":12,"nelements":2,"elements":["Mg","Bi"],"chemical_system":"Bi-Mg","density":6.93608966391121,"density_atomic":0.03581030642679675,"volume":335.09905938756316,"volume_molar":16.816780868129207,"formula_full":"Mg6 Bi6","formula_reduced":"MgBi","formula_anonymous":"AB","energy":-33.32498537,"energy_per_atom":-2.777082114166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.32498537,"band_gap":0.3358000000000007,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.752000Z","spacegroup":38},{"id":"mp-662803","created_at":"2022-09-04T14:40:26.507370Z","structure_string":"K12 Ba6 Ge48 O108\n1.0\n5.953982 -10.312600 0.000000\n5.953982 10.312600 0.000000\n0.000000 0.000000 19.586866\nK Ba Ge O\n12 6 48 108\ndirect\n0.662679 0.998298 0.539349 K\n0.001702 0.664382 0.539349 K\n0.998298 0.335618 0.460651 K\n0.664382 0.662679 0.460651 K\n0.335618 0.998298 0.039349 K\n0.001702 0.337321 0.039349 K\n0.337321 0.335618 0.960651 K\n0.662679 0.664382 0.039349 K\n0.664382 0.001702 0.960651 K\n0.335618 0.337321 0.539349 K\n0.337321 0.001702 0.460651 K\n0.998298 0.662679 0.960651 K\n0.335134 0.000000 0.250000 Ba\n0.664866 0.000000 0.750000 Ba\n0.664866 0.664866 0.250000 Ba\n0.335134 0.335134 0.750000 Ba\n0.000000 0.335134 0.250000 Ba\n0.000000 0.664866 0.750000 Ba\n0.144817 0.661552 0.149241 Ge\n0.338448 0.855183 0.649241 Ge\n0.661552 0.516735 0.850759 Ge\n0.154849 0.666419 0.391264 Ge\n0.177807 0.003605 0.872675 Ge\n0.003605 0.825798 0.127325 Ge\n0.174202 0.177807 0.127325 Ge\n0.003605 0.177807 0.627325 Ge\n0.177807 0.174202 0.372675 Ge\n0.333333 0.666667 0.022231 Ge\n0.845151 0.333581 0.608736 Ge\n0.333581 0.488430 0.391264 Ge\n0.666419 0.511570 0.608736 Ge\n0.666419 0.154849 0.108736 Ge\n0.488430 0.333581 0.108736 Ge\n0.996395 0.822193 0.372675 Ge\n0.666667 0.333333 0.727945 Ge\n0.822193 0.825798 0.627325 Ge\n0.174202 0.996395 0.627325 Ge\n0.338448 0.483265 0.149241 Ge\n0.333333 0.666667 0.522231 Ge\n0.333581 0.845151 0.891264 Ge\n0.483265 0.144817 0.850759 Ge\n0.516735 0.855183 0.149241 Ge\n0.000000 0.000000 0.250000 Ge\n0.483265 0.338448 0.350759 Ge\n0.144817 0.483265 0.649241 Ge\n0.333333 0.666667 0.272055 Ge\n0.825798 0.822193 0.872675 Ge\n0.822193 0.996395 0.127325 Ge\n0.154849 0.488430 0.891264 Ge\n0.666667 0.333333 0.477769 Ge\n0.488430 0.154849 0.608736 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.855183 0.338448 0.850759 Ge\n0.666667 0.333333 0.227945 Ge\n0.845151 0.511570 0.108736 Ge\n0.333333 0.666667 0.772055 Ge\n0.666667 0.333333 0.977769 Ge\n0.511570 0.845151 0.391264 Ge\n0.000000 0.000000 0.750000 Ge\n0.511570 0.666419 0.891264 Ge\n0.825798 0.003605 0.372675 Ge\n0.516735 0.661552 0.649241 Ge\n0.855183 0.516735 0.350759 Ge\n0.996395 0.174202 0.872675 Ge\n0.661552 0.144817 0.350759 Ge\n0.151525 0.067640 0.441421 O\n0.991178 0.515615 0.135914 O\n0.120676 0.325484 0.672513 O\n0.782967 0.107237 0.084529 O\n0.589603 0.406648 0.782590 O\n0.395094 0.818822 0.967255 O\n0.484385 0.475563 0.135914 O\n0.756957 0.273525 0.170910 O\n0.675730 0.892763 0.415471 O\n0.151525 0.083886 0.941421 O\n0.083886 0.151525 0.558579 O\n0.484385 0.008822 0.635914 O\n0.795192 0.674516 0.827487 O\n0.067640 0.916114 0.558579 O\n0.067640 0.151525 0.058579 O\n0.181178 0.604906 0.467255 O\n0.817045 0.410397 0.782590 O\n0.513283 0.240789 0.923638 O\n0.120676 0.795192 0.172513 O\n0.273525 0.756957 0.329090 O\n0.513283 0.272494 0.423638 O\n0.936764 0.848888 0.691938 O\n0.182955 0.593352 0.717410 O\n0.795192 0.120676 0.327487 O\n0.936764 0.087876 0.191938 O\n0.325484 0.204808 0.327487 O\n0.818822 0.423728 0.032745 O\n0.576272 0.181178 0.532745 O\n0.240789 0.513283 0.576362 O\n0.217033 0.324270 0.415471 O\n0.756957 0.483431 0.670910 O\n0.576272 0.395094 0.032745 O\n0.515615 0.524437 0.864086 O\n0.324270 0.217033 0.084529 O\n0.151112 0.087876 0.691938 O\n0.727506 0.486717 0.923638 O\n0.410397 0.817045 0.717410 O\n0.727506 0.240789 0.423638 O\n0.675730 0.782967 0.915471 O\n0.151112 0.063236 0.191938 O\n0.475563 0.991178 0.864086 O\n0.879324 0.204808 0.827487 O\n0.083886 0.932360 0.058579 O\n0.483431 0.726475 0.329090 O\n0.817045 0.406648 0.282590 O\n0.848475 0.932360 0.558579 O\n0.406648 0.589603 0.717410 O\n0.932360 0.848475 0.941421 O\n0.593352 0.410397 0.282590 O\n0.604906 0.181178 0.032745 O\n0.726475 0.483431 0.170910 O\n0.243043 0.726475 0.829090 O\n0.243043 0.516569 0.329090 O\n0.593352 0.182955 0.782590 O\n0.204808 0.879324 0.672513 O\n0.524437 0.515615 0.635914 O\n0.406648 0.817045 0.217410 O\n0.272494 0.759211 0.576362 O\n0.674516 0.795192 0.672513 O\n0.204808 0.325484 0.172513 O\n0.991178 0.475563 0.635914 O\n0.818822 0.395094 0.532745 O\n0.759211 0.272494 0.923638 O\n0.324270 0.107237 0.584529 O\n0.848888 0.912124 0.308062 O\n0.604906 0.423728 0.532745 O\n0.932360 0.083886 0.441421 O\n0.892763 0.675730 0.084529 O\n0.087876 0.151112 0.808062 O\n0.516569 0.273525 0.670910 O\n0.008822 0.484385 0.864086 O\n0.181178 0.576272 0.967255 O\n0.087876 0.936764 0.308062 O\n0.475563 0.484385 0.364086 O\n0.063236 0.912124 0.808062 O\n0.325484 0.120676 0.827487 O\n0.916114 0.848475 0.441421 O\n0.912124 0.063236 0.691938 O\n0.848475 0.916114 0.058579 O\n0.423728 0.604906 0.967255 O\n0.515615 0.991178 0.364086 O\n0.912124 0.848888 0.191938 O\n0.217033 0.892763 0.915471 O\n0.272494 0.513283 0.076362 O\n0.589603 0.182955 0.282590 O\n0.107237 0.782967 0.415471 O\n0.410397 0.593352 0.217410 O\n0.063236 0.151112 0.308062 O\n0.483431 0.756957 0.829090 O\n0.423728 0.818822 0.467255 O\n0.486717 0.759211 0.076362 O\n0.516569 0.243043 0.170910 O\n0.892763 0.217033 0.584529 O\n0.726475 0.243043 0.670910 O\n0.879324 0.674516 0.327487 O\n0.916114 0.067640 0.941421 O\n0.395094 0.576272 0.467255 O\n0.782967 0.675730 0.584529 O\n0.273525 0.516569 0.829090 O\n0.240789 0.727506 0.076362 O\n0.674516 0.879324 0.172513 O\n0.759211 0.486717 0.423638 O\n0.107237 0.324270 0.915471 O\n0.848888 0.936764 0.808062 O\n0.524437 0.008822 0.135914 O\n0.008822 0.524437 0.364086 O\n0.182955 0.589603 0.217410 O\n0.486717 0.727506 0.576362 O\n","nsites":174,"nelements":4,"elements":["K","Ba","Ge","O"],"chemical_system":"Ba-Ge-K-O","density":4.492751971183854,"density_atomic":0.07234001761776072,"volume":2405.3076807280177,"volume_molar":8.324770933593829,"formula_full":"K12 Ba6 Ge48 O108","formula_reduced":"K2Ba(Ge4O9)2","formula_anonymous":"AB2C8D18","energy":-1174.70510859,"energy_per_atom":-6.7511787850000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1100.50910859,"band_gap":3.4758000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.69e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.876000Z","spacegroup":165}]}