{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=38","results":[{"id":"mp-16370","created_at":"2022-09-04T14:43:43.860508Z","structure_string":"Th4 Ge2\n1.0\n-3.705525 3.705525 3.047364\n3.705525 -3.705525 3.047364\n3.705525 3.705525 -3.047364\nTh Ge\n4 2\ndirect\n0.836348 0.663652 0.500000 Th\n0.336348 0.836348 0.172695 Th\n0.163652 0.336348 0.500000 Th\n0.663652 0.163652 0.827305 Th\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n","nsites":6,"nelements":2,"elements":["Th","Ge"],"chemical_system":"Ge-Th","density":10.649762264010873,"density_atomic":0.03584820636833484,"volume":167.37239063932284,"volume_molar":16.799001596128477,"formula_full":"Th4 Ge2","formula_reduced":"Th2Ge","formula_anonymous":"AB2","energy":-42.35732855,"energy_per_atom":-7.059554758333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.35732855,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.092477,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.729000Z","spacegroup":140},{"id":"mp-729572","created_at":"2022-09-04T14:43:44.049489Z","structure_string":"Cs8 B48 O4 F48\n1.0\n9.995043 0.000000 0.000000\n0.000000 10.531568 0.000000\n0.000000 0.000000 15.407647\nCs B O F\n8 48 4 48\ndirect\n0.957096 0.004758 0.114999 Cs\n0.542904 0.995242 0.614999 Cs\n0.457096 0.495242 0.885001 Cs\n0.042904 0.504758 0.385001 Cs\n0.918137 0.186496 0.788988 Cs\n0.581863 0.813504 0.288988 Cs\n0.418137 0.313504 0.211012 Cs\n0.081863 0.686496 0.711012 Cs\n0.956033 0.505718 0.950935 B\n0.543967 0.494282 0.450935 B\n0.456033 0.994282 0.049065 B\n0.043967 0.005718 0.549065 B\n0.805425 0.588262 0.981775 B\n0.694575 0.411738 0.481775 B\n0.305425 0.911738 0.018225 B\n0.194575 0.088262 0.518225 B\n0.965993 0.646336 0.016144 B\n0.534007 0.353664 0.516144 B\n0.465993 0.853664 0.983856 B\n0.034007 0.146336 0.483856 B\n0.072668 0.510517 0.038932 B\n0.427332 0.489483 0.538932 B\n0.572668 0.989483 0.961068 B\n0.927332 0.010517 0.461068 B\n0.973206 0.369736 0.019696 B\n0.526794 0.630264 0.519696 B\n0.473206 0.130264 0.980304 B\n0.026794 0.869736 0.480304 B\n0.810789 0.418659 0.984380 B\n0.689211 0.581341 0.484380 B\n0.310789 0.081341 0.015620 B\n0.189211 0.918659 0.515620 B\n0.731170 0.503180 0.071367 B\n0.768830 0.496820 0.571367 B\n0.231170 0.996820 0.928633 B\n0.268830 0.003180 0.428633 B\n0.828127 0.643880 0.090936 B\n0.671873 0.356120 0.590936 B\n0.328127 0.856120 0.909064 B\n0.171873 0.143880 0.409064 B\n0.992809 0.596337 0.126349 B\n0.507191 0.403663 0.626349 B\n0.492809 0.903663 0.873651 B\n0.007191 0.096337 0.373651 B\n0.997921 0.425767 0.128187 B\n0.502079 0.574233 0.628187 B\n0.497921 0.074233 0.871813 B\n0.002079 0.925767 0.371813 B\n0.835908 0.368252 0.094711 B\n0.664092 0.631748 0.594711 B\n0.335908 0.131748 0.905289 B\n0.164092 0.868252 0.405289 B\n0.847486 0.508243 0.159940 B\n0.652514 0.491757 0.659940 B\n0.347486 0.991757 0.840060 B\n0.152514 0.008243 0.340060 B\n0.869715 0.868635 0.807727 O\n0.630285 0.131365 0.307727 O\n0.369715 0.631365 0.192273 O\n0.130285 0.368635 0.692273 O\n0.997721 0.502235 0.864140 F\n0.502279 0.497765 0.364140 F\n0.497721 0.997765 0.135860 F\n0.002279 0.002235 0.635860 F\n0.731574 0.652081 0.919461 F\n0.768426 0.347919 0.419461 F\n0.231574 0.847919 0.080539 F\n0.268426 0.152081 0.580539 F\n0.009689 0.761290 0.982702 F\n0.490311 0.238710 0.482702 F\n0.509689 0.738710 0.017298 F\n0.990311 0.261290 0.517298 F\n0.210565 0.511530 0.026366 F\n0.289435 0.488470 0.526366 F\n0.710565 0.988470 0.973634 F\n0.789435 0.011530 0.473634 F\n0.022714 0.255340 0.987037 F\n0.477286 0.744660 0.487037 F\n0.522714 0.244660 0.012963 F\n0.977286 0.755340 0.512963 F\n0.742006 0.345728 0.923112 F\n0.757994 0.654272 0.423112 F\n0.242006 0.154272 0.076888 F\n0.257994 0.845728 0.576888 F\n0.593220 0.497129 0.085378 F\n0.906780 0.502871 0.585378 F\n0.093220 0.002871 0.914622 F\n0.406780 0.997129 0.414622 F\n0.771629 0.756684 0.122622 F\n0.728371 0.243316 0.622622 F\n0.271629 0.743316 0.877378 F\n0.228371 0.256684 0.377378 F\n0.064256 0.666105 0.187352 F\n0.435744 0.333895 0.687352 F\n0.564256 0.833895 0.812648 F\n0.935744 0.166105 0.312648 F\n0.076384 0.362628 0.189812 F\n0.423616 0.637372 0.689812 F\n0.576384 0.137372 0.810188 F\n0.923616 0.862628 0.310188 F\n0.784042 0.254304 0.126382 F\n0.715958 0.745696 0.626382 F\n0.284042 0.245696 0.873618 F\n0.215958 0.754304 0.373618 F\n0.803987 0.511711 0.245931 F\n0.696013 0.488289 0.745931 F\n0.303987 0.988289 0.754069 F\n0.196013 0.011711 0.254069 F\n","nsites":108,"nelements":4,"elements":["Cs","B","O","F"],"chemical_system":"B-Cs-F-O","density":2.6190954769458323,"density_atomic":0.06659011002877209,"volume":1621.862465061788,"volume_molar":9.043596349965435,"formula_full":"Cs8 B48 O4 F48","formula_reduced":"Cs2B12OF12","formula_anonymous":"AB2C12D12","energy":-646.16013872,"energy_per_atom":-5.982964247407407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-621.23613872,"band_gap":0.2689,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0144828,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.347000Z","spacegroup":19},{"id":"mp-12611","created_at":"2022-09-04T14:43:42.969303Z","structure_string":"Ca3 Ga8\n1.0\n-2.157772 2.171697 12.932211\n2.157772 -2.171697 12.932211\n2.157772 2.171697 -12.932211\nCa Ga\n3 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.854818 0.354818 0.500000 Ca\n0.145182 0.645182 0.500000 Ca\n0.249698 0.249698 0.000000 Ga\n0.750302 0.750302 0.000000 Ga\n0.451805 0.451805 0.000000 Ga\n0.548195 0.548195 0.000000 Ga\n0.594580 0.094580 0.500000 Ga\n0.405420 0.905420 0.500000 Ga\n0.690773 0.190773 0.500000 Ga\n0.309227 0.809227 0.500000 Ga\n","nsites":11,"nelements":2,"elements":["Ca","Ga"],"chemical_system":"Ca-Ga","density":4.644647542171364,"density_atomic":0.04537902152764539,"volume":242.4027585808275,"volume_molar":13.270759388964011,"formula_full":"Ca3 Ga8","formula_reduced":"Ca3Ga8","formula_anonymous":"A3B8","energy":-35.04959762,"energy_per_atom":-3.1863270563636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.04959762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004283,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.525000Z","spacegroup":71},{"id":"mp-2939","created_at":"2022-09-04T14:43:43.176853Z","structure_string":"Ba2 Tb2 O6\n1.0\n-3.114604 3.114604 4.482376\n3.114604 -3.114604 4.482376\n3.114604 3.114604 -4.482376\nBa Tb O\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.691272 0.191272 0.882545 O\n0.191272 0.308728 0.500000 O\n0.808728 0.691272 0.500000 O\n0.308728 0.808728 0.117455 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n","nsites":10,"nelements":3,"elements":["Ba","Tb","O"],"chemical_system":"Ba-O-Tb","density":6.573244495993126,"density_atomic":0.0574944667749196,"volume":173.9297807413048,"volume_molar":10.474296219800745,"formula_full":"Ba2 Tb2 O6","formula_reduced":"BaTbO3","formula_anonymous":"ABC3","energy":-73.97871111,"energy_per_atom":-7.397871111000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.85671111,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0056567,"is_theoretical":false,"updated_at":"2021-11-28T01:36:16.149000Z","spacegroup":140},{"id":"mp-1218865","created_at":"2022-09-04T14:43:43.354612Z","structure_string":"Sr2 Al3 In1\n1.0\n2.456804 5.647429 0.000000\n-2.456804 5.647429 0.000000\n0.000000 5.545048 5.702681\nSr Al In\n2 3 1\ndirect\n0.548068 0.548068 0.701165 Sr\n0.453374 0.453374 0.296097 Sr\n0.829921 0.829921 0.744127 Al\n0.846478 0.846478 0.083758 Al\n0.161793 0.161793 0.897923 Al\n0.160366 0.160366 0.276929 In\n","nsites":6,"nelements":3,"elements":["Sr","Al","In"],"chemical_system":"Al-In-Sr","density":3.893101304476658,"density_atomic":0.03791585782657451,"volume":158.24513393429578,"volume_molar":15.882907852289696,"formula_full":"Sr2 Al3 In1","formula_reduced":"Sr2Al3In","formula_anonymous":"AB2C3","energy":-19.13912278,"energy_per_atom":-3.1898537966666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.13912278,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005561,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.847000Z","spacegroup":8},{"id":"mp-1235278","created_at":"2022-09-04T14:43:43.371510Z","structure_string":"Sr4 Li1 Mn2 Ga2 O11\n1.0\n-3.934907 4.195122 -0.000740\n-3.979032 -4.237052 0.000054\n-3.956328 -0.021730 7.555123\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.137773 0.632535 0.739386 Sr\n0.619837 0.129232 0.740336 Sr\n0.407971 0.820696 0.265373 Sr\n0.826282 0.413809 0.266991 Sr\n0.129249 0.129537 0.238144 Li\n0.240580 0.240919 0.507352 Mn\n0.750139 0.752243 0.507286 Mn\n0.531177 0.475132 0.993460 Ga\n0.975877 0.030209 0.993580 Ga\n0.161556 0.063183 0.756129 O\n0.579491 0.681544 0.756767 O\n0.322809 0.403460 0.244640 O\n0.935691 0.849347 0.242210 O\n0.530210 0.004775 0.465064 O\n0.967609 0.493988 0.537196 O\n0.003926 0.003045 0.490686 O\n0.497773 0.499403 0.501675 O\n0.753219 0.252211 0.996545 O\n0.740587 0.740750 0.017354 O\n0.257291 0.253032 0.989826 O\n","nsites":20,"nelements":5,"elements":["Sr","Li","Mn","Ga","O"],"chemical_system":"Ga-Li-Mn-O-Sr","density":5.156003557744439,"density_atomic":0.07933750270037386,"volume":252.08759186096432,"volume_molar":7.590534810180788,"formula_full":"Sr4 Li1 Mn2 Ga2 O11","formula_reduced":"Sr4LiMn2Ga2O11","formula_anonymous":"AB2C2D4E11","energy":-137.22148955,"energy_per_atom":-6.8610744775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.32848955,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.000989,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.365000Z","spacegroup":1},{"id":"mp-1302830","created_at":"2022-09-04T14:43:43.398852Z","structure_string":"V4 O1 F11\n1.0\n-5.299148 0.002429 -0.006902\n-0.008317 6.189713 -4.299560\n-0.004380 -3.344171 -4.315311\nV O F\n4 1 11\ndirect\n0.508607 0.479225 0.499465 V\n0.500454 0.999950 0.501122 V\n0.000106 0.502052 0.998890 V\n0.999619 0.000403 0.000857 V\n0.574026 0.259929 0.501790 O\n0.897642 0.251947 0.001482 F\n0.800433 0.548825 0.303334 F\n0.805799 0.954450 0.698528 F\n0.695775 0.950751 0.199820 F\n0.699071 0.552359 0.799126 F\n0.419410 0.740893 0.500988 F\n0.302942 0.456012 0.196819 F\n0.303594 0.048823 0.802170 F\n0.193616 0.044012 0.303701 F\n0.195142 0.459431 0.692085 F\n0.103762 0.750937 0.999823 F\n","nsites":16,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.269792932059292,"density_atomic":0.07348339208489238,"volume":217.73627408919623,"volume_molar":8.195240569519253,"formula_full":"V4 O1 F11","formula_reduced":"V4OF11","formula_anonymous":"AB4C11","energy":-112.41843226,"energy_per_atom":-7.02615201625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.84943226,"band_gap":2.0824,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0001191,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.359000Z","spacegroup":1},{"id":"mp-625677","created_at":"2022-09-04T14:43:43.529004Z","structure_string":"Y2 H6 O6\n1.0\n3.190835 -5.526688 0.000000\n3.190835 5.526688 0.000000\n0.000000 0.000000 3.518043\nY H O\n2 6 6\ndirect\n0.666667 0.333333 0.312692 Y\n0.333333 0.666667 0.812692 Y\n0.141923 0.861150 0.350757 H\n0.719227 0.858077 0.350757 H\n0.138850 0.280773 0.350757 H\n0.858077 0.138850 0.850757 H\n0.280773 0.141923 0.850757 H\n0.861150 0.719227 0.850757 H\n0.086358 0.690599 0.308136 O\n0.604241 0.913642 0.308136 O\n0.309401 0.395759 0.308136 O\n0.913642 0.309401 0.808136 O\n0.395759 0.086358 0.808136 O\n0.690599 0.604241 0.808136 O\n","nsites":14,"nelements":3,"elements":["Y","H","O"],"chemical_system":"H-O-Y","density":3.7452678479505495,"density_atomic":0.11283078289148828,"volume":124.07961410197865,"volume_molar":5.337320725489975,"formula_full":"Y2 H6 O6","formula_reduced":"Y(HO)3","formula_anonymous":"AB3C3","energy":-94.18131424,"energy_per_atom":-6.7272367314285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.05931424,"band_gap":3.9079,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.284000Z","spacegroup":173},{"id":"mp-14665","created_at":"2022-09-04T14:43:43.615156Z","structure_string":"K4 Nd4 S8 O32\n1.0\n7.279417 0.000000 0.000000\n0.000000 8.774364 0.000000\n0.000000 0.497605 10.783543\nK Nd S O\n4 4 8 32\ndirect\n0.848862 0.439307 0.345466 K\n0.348862 0.560693 0.154534 K\n0.151138 0.560693 0.654534 K\n0.651138 0.439307 0.845466 K\n0.669018 0.943302 0.349590 Nd\n0.169018 0.056698 0.150410 Nd\n0.330982 0.056698 0.650410 Nd\n0.830982 0.943302 0.849590 Nd\n0.842453 0.726959 0.091283 S\n0.342453 0.273041 0.408717 S\n0.157547 0.273041 0.908717 S\n0.657547 0.726959 0.591283 S\n0.666433 0.181653 0.109213 S\n0.166433 0.818347 0.390787 S\n0.333567 0.818347 0.890787 S\n0.833567 0.181653 0.609213 S\n0.967388 0.606077 0.132860 O\n0.467388 0.393923 0.367140 O\n0.032612 0.393923 0.867140 O\n0.532612 0.606077 0.632860 O\n0.747568 0.699265 0.469649 O\n0.247568 0.300735 0.030351 O\n0.252432 0.300735 0.530351 O\n0.752432 0.699265 0.969649 O\n0.698673 0.754510 0.187121 O\n0.198673 0.245490 0.312879 O\n0.301327 0.245490 0.812879 O\n0.801327 0.754510 0.687121 O\n0.444715 0.123979 0.437592 O\n0.944715 0.876021 0.062408 O\n0.555285 0.876021 0.562408 O\n0.055285 0.123979 0.937592 O\n0.680389 0.125029 0.982543 O\n0.180389 0.874971 0.517457 O\n0.319611 0.874971 0.017457 O\n0.819611 0.125029 0.482543 O\n0.857295 0.346243 0.606243 O\n0.357295 0.653757 0.893757 O\n0.142705 0.653757 0.393757 O\n0.642705 0.346243 0.106243 O\n0.667967 0.135377 0.688860 O\n0.167967 0.864623 0.811140 O\n0.332033 0.864623 0.311140 O\n0.832033 0.135377 0.188860 O\n0.988853 0.096768 0.676539 O\n0.488853 0.903232 0.823461 O\n0.011147 0.903232 0.323461 O\n0.511147 0.096768 0.176539 O\n","nsites":48,"nelements":4,"elements":["K","Nd","S","O"],"chemical_system":"K-Nd-O-S","density":3.6208072521965606,"density_atomic":0.06968952709133122,"volume":688.7692025387669,"volume_molar":8.641385601752923,"formula_full":"K4 Nd4 S8 O32","formula_reduced":"KNd(SO4)2","formula_anonymous":"ABC2D8","energy":-337.39054895,"energy_per_atom":-7.028969769791666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.40654895,"band_gap":5.6613,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010044,"is_theoretical":false,"updated_at":"2021-11-28T01:36:17.210000Z","spacegroup":14},{"id":"mp-1192397","created_at":"2022-09-04T14:43:43.686047Z","structure_string":"Si4 Sn8 S16\n1.0\n-7.446632 0.000000 3.750430\n0.000000 -8.464932 0.000000\n7.444886 0.000000 7.588768\nSi Sn S\n4 8 16\ndirect\n0.313467 0.212918 0.019979 Si\n0.186533 0.712918 0.480021 Si\n0.686533 0.787082 0.980021 Si\n0.813467 0.287082 0.519979 Si\n0.746846 0.345612 0.196654 Sn\n0.753154 0.845612 0.303346 Sn\n0.253154 0.654388 0.803346 Sn\n0.246846 0.154388 0.696654 Sn\n0.385651 0.243781 0.391196 Sn\n0.114349 0.743781 0.108804 Sn\n0.614349 0.756219 0.608804 Sn\n0.885651 0.256219 0.891196 Sn\n0.495453 0.119739 0.194635 S\n0.004547 0.619739 0.305365 S\n0.504547 0.880261 0.805365 S\n0.995453 0.380261 0.694635 S\n0.148016 0.036498 0.900045 S\n0.351984 0.536498 0.599955 S\n0.851984 0.963502 0.099955 S\n0.648016 0.463502 0.400045 S\n0.444572 0.318593 0.898980 S\n0.055428 0.818593 0.601020 S\n0.555428 0.681407 0.101020 S\n0.944572 0.181407 0.398980 S\n0.150012 0.365362 0.083856 S\n0.349988 0.865362 0.416144 S\n0.849988 0.634638 0.916144 S\n0.650012 0.134638 0.583856 S\n","nsites":28,"nelements":3,"elements":["Si","Sn","S"],"chemical_system":"S-Si-Sn","density":3.659440813561365,"density_atomic":0.03917653370556802,"volume":714.7135632374863,"volume_molar":15.371806003204656,"formula_full":"Si4 Sn8 S16","formula_reduced":"Si(SnS2)2","formula_anonymous":"AB2C4","energy":-143.00689569,"energy_per_atom":-5.107389131785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.95889569,"band_gap":2.1185000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003449,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.518000Z","spacegroup":14},{"id":"mp-754579","created_at":"2022-09-04T14:43:43.743443Z","structure_string":"Li4 Fe2 F8\n1.0\n3.145830 0.000000 0.000000\n0.000000 5.047374 0.000000\n0.000000 0.000000 9.863465\nLi Fe F\n4 2 8\ndirect\n0.500000 0.028191 0.705217 Li\n0.500000 0.471809 0.205217 Li\n0.500000 0.528191 0.794783 Li\n0.500000 0.971809 0.294783 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.257490 0.158393 F\n0.500000 0.299138 0.394142 F\n0.500000 0.200862 0.894142 F\n0.000000 0.242510 0.658393 F\n0.000000 0.757490 0.341607 F\n0.500000 0.799138 0.105858 F\n0.500000 0.700862 0.605858 F\n0.000000 0.742510 0.841607 F\n","nsites":14,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.090080818682502,"density_atomic":0.08939182253712726,"volume":156.6138781227484,"volume_molar":6.736791564461966,"formula_full":"Li4 Fe2 F8","formula_reduced":"Li2FeF4","formula_anonymous":"AB2C4","energy":-80.38509300999999,"energy_per_atom":-5.741792357857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.17709301,"band_gap":3.6837,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0035527,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.926000Z","spacegroup":55},{"id":"mp-581533","created_at":"2022-09-04T14:43:40.797493Z","structure_string":"Cs28 In16 Bi24\n1.0\n10.454297 0.000000 0.000000\n-0.045260 10.497275 0.000000\n-0.425700 -2.267037 28.152236\nCs In Bi\n28 16 24\ndirect\n0.518904 0.473928 0.075349 Cs\n0.625939 0.196591 0.178308 Cs\n0.954799 0.339722 0.088638 Cs\n0.301847 0.147983 0.419119 Cs\n0.481096 0.526072 0.924651 Cs\n0.817609 0.571956 0.329469 Cs\n0.374061 0.803409 0.821692 Cs\n0.747870 0.906758 0.256588 Cs\n0.982670 0.256503 0.249980 Cs\n0.252130 0.093242 0.743412 Cs\n0.100297 0.744700 0.584493 Cs\n0.881476 0.305785 0.768300 Cs\n0.182391 0.428044 0.670531 Cs\n0.899703 0.255300 0.415507 Cs\n0.716052 0.900807 0.911517 Cs\n0.653668 0.929540 0.415123 Cs\n0.832044 0.299894 0.928396 Cs\n0.045201 0.660278 0.911362 Cs\n0.017330 0.743497 0.750020 Cs\n0.283948 0.099193 0.088483 Cs\n0.520975 0.488392 0.425893 Cs\n0.675447 0.967175 0.737803 Cs\n0.479025 0.511608 0.574107 Cs\n0.346332 0.070460 0.584877 Cs\n0.698153 0.852017 0.580881 Cs\n0.324553 0.032825 0.262197 Cs\n0.118524 0.694215 0.231700 Cs\n0.167956 0.700106 0.071604 Cs\n0.772628 0.757209 0.128337 In\n0.450149 0.139553 0.958836 In\n0.901641 0.962962 0.035339 In\n0.499018 0.602479 0.204561 In\n0.965375 0.107715 0.537343 In\n0.134221 0.537628 0.454855 In\n0.549851 0.860447 0.041164 In\n0.865779 0.462372 0.545145 In\n0.500982 0.397521 0.795439 In\n0.235957 0.732215 0.364754 In\n0.416917 0.412612 0.294246 In\n0.098359 0.037038 0.964661 In\n0.764043 0.267785 0.635246 In\n0.034625 0.892285 0.462657 In\n0.227372 0.242791 0.871663 In\n0.583083 0.587388 0.705754 In\n0.610414 0.228202 0.322979 Bi\n0.863110 0.645438 0.466239 Bi\n0.308307 0.778812 0.470682 Bi\n0.304491 0.388578 0.191741 Bi\n0.777865 0.539731 0.189855 Bi\n0.222135 0.460269 0.810145 Bi\n0.479894 0.707419 0.308539 Bi\n0.389586 0.771798 0.677021 Bi\n0.215148 0.312488 0.979965 Bi\n0.136890 0.354562 0.533761 Bi\n0.655201 0.132501 0.037420 Bi\n0.025872 0.921990 0.356067 Bi\n0.974128 0.078010 0.643933 Bi\n0.165520 0.449323 0.351100 Bi\n0.784852 0.687512 0.020035 Bi\n0.834480 0.550677 0.648900 Bi\n0.695509 0.611422 0.808259 Bi\n0.344799 0.867499 0.962580 Bi\n0.520106 0.292581 0.691461 Bi\n0.509428 0.162449 0.854494 Bi\n0.039654 0.024958 0.859181 Bi\n0.490572 0.837551 0.145506 Bi\n0.960346 0.975042 0.140819 Bi\n0.691693 0.221188 0.529318 Bi\n","nsites":68,"nelements":3,"elements":["Cs","In","Bi"],"chemical_system":"Bi-Cs-In","density":5.683330061503176,"density_atomic":0.02201023145475508,"volume":3089.47228200589,"volume_molar":27.360642582879244,"formula_full":"Cs28 In16 Bi24","formula_reduced":"Cs7(In2Bi3)2","formula_anonymous":"A4B6C7","energy":-185.28976449,"energy_per_atom":-2.724849477794118,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.28976449,"band_gap":0.3083,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0572049,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.926000Z","spacegroup":2}]}