{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10244","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10242","results":[{"id":"mp-1227137","created_at":"2022-09-04T14:39:19.976348Z","structure_string":"Ca4 Ti1 Si4 Sn3 O20\n1.0\n6.749796 0.000000 0.000000\n0.463673 7.990902 0.000000\n0.469666 2.997672 7.418396\nCa Ti Si Sn O\n4 1 4 3 20\ndirect\n0.377342 0.455488 0.789878 Ca\n0.869494 0.962160 0.286658 Ca\n0.130506 0.037840 0.713342 Ca\n0.622658 0.544512 0.210122 Ca\n0.500000 0.000000 0.000000 Ti\n0.128738 0.696331 0.055772 Si\n0.624568 0.193228 0.558331 Si\n0.375432 0.806772 0.441669 Si\n0.871262 0.303669 0.944228 Si\n0.000000 0.500000 0.500000 Sn\n0.250954 0.248089 0.249220 Sn\n0.749046 0.751911 0.750780 Sn\n0.126086 0.286598 0.462912 O\n0.620473 0.800682 0.958967 O\n0.379527 0.199318 0.041033 O\n0.873914 0.713402 0.537088 O\n0.539435 0.855375 0.269383 O\n0.044794 0.346978 0.779681 O\n0.297891 0.527689 0.097846 O\n0.797150 0.028365 0.598738 O\n0.955206 0.653022 0.220319 O\n0.460565 0.144625 0.730617 O\n0.202850 0.971635 0.401262 O\n0.702109 0.472311 0.902154 O\n0.531570 0.228428 0.360585 O\n0.031206 0.731046 0.860567 O\n0.769656 0.110109 0.977728 O\n0.283581 0.608507 0.477646 O\n0.968794 0.268954 0.139433 O\n0.468430 0.771572 0.639415 O\n0.716419 0.391493 0.522354 O\n0.230344 0.889891 0.022272 O\n","nsites":32,"nelements":5,"elements":["Ca","Ti","Si","Sn","O"],"chemical_system":"Ca-O-Si-Sn-Ti","density":4.136095052435372,"density_atomic":0.0799748646757371,"volume":400.1257161202576,"volume_molar":7.530041825537476,"formula_full":"Ca4 Ti1 Si4 Sn3 O20","formula_reduced":"Ca4TiSi4Sn3O20","formula_anonymous":"AB3C4D4E20","energy":-246.83713063,"energy_per_atom":-7.7136603321875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-233.09713063,"band_gap":3.1716,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.79e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.654000Z","spacegroup":2},{"id":"mp-758056","created_at":"2022-09-04T14:39:19.936229Z","structure_string":"Li2 Ti2 P8 O24\n1.0\n8.961157 0.000000 0.000000\n0.000000 6.918465 0.000000\n0.000000 0.962426 7.059705\nLi Ti P O\n2 2 8 24\ndirect\n0.929242 0.823794 0.819915 Li\n0.429242 0.176206 0.180085 Li\n0.638693 0.782407 0.272891 Ti\n0.138693 0.217593 0.727109 Ti\n0.639751 0.023981 0.555859 P\n0.439839 0.907857 0.873225 P\n0.289758 0.575707 0.430104 P\n0.600494 0.542432 0.914837 P\n0.100494 0.457568 0.085163 P\n0.789758 0.424293 0.569896 P\n0.939839 0.092143 0.126775 P\n0.139751 0.976019 0.444141 P\n0.061471 0.954926 0.247046 O\n0.477448 0.914054 0.079722 O\n0.029004 0.978615 0.604362 O\n0.287926 0.983188 0.815900 O\n0.237383 0.786576 0.469558 O\n0.733942 0.843674 0.568227 O\n0.468717 0.694254 0.816021 O\n0.704410 0.671731 0.010956 O\n0.257955 0.445458 0.613784 O\n0.179899 0.530803 0.265525 O\n0.028473 0.628523 0.975491 O\n0.448886 0.592634 0.365774 O\n0.948886 0.407366 0.634226 O\n0.528473 0.371477 0.024509 O\n0.679899 0.469197 0.734475 O\n0.757955 0.554542 0.386216 O\n0.204410 0.328269 0.989044 O\n0.968717 0.305746 0.183979 O\n0.233942 0.156326 0.431773 O\n0.737383 0.213424 0.530442 O\n0.787926 0.016812 0.184100 O\n0.529004 0.021385 0.395638 O\n0.977448 0.085946 0.920278 O\n0.561471 0.045074 0.752954 O\n","nsites":36,"nelements":4,"elements":["Li","Ti","P","O"],"chemical_system":"Li-O-P-Ti","density":2.8127842821814513,"density_atomic":0.08225117532257557,"volume":437.68371526381145,"volume_molar":7.32164706021787,"formula_full":"Li2 Ti2 P8 O24","formula_reduced":"LiTi(PO3)4","formula_anonymous":"ABC4D12","energy":-277.9206746,"energy_per_atom":-7.720018738888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.4326746,"band_gap":0.2503999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0057636,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.590000Z","spacegroup":4},{"id":"mp-28340","created_at":"2022-09-04T14:39:19.941088Z","structure_string":"Ca6 As6 Pt6\n1.0\n-2.114244 2.114244 22.178178\n2.114244 -2.114244 22.178178\n2.114244 2.114244 -22.178178\nCa As Pt\n6 6 6\ndirect\n0.500440 0.000440 0.500000 Ca\n0.750440 0.750440 0.000000 Ca\n0.334164 0.834164 0.500000 Ca\n0.584164 0.584164 0.000000 Ca\n0.666953 0.166953 0.500000 Ca\n0.916953 0.916953 0.000000 Ca\n0.806328 0.306328 0.500000 As\n0.222860 0.222860 0.000000 As\n0.972860 0.472860 0.500000 As\n0.056328 0.056328 0.000000 As\n0.390010 0.390010 0.000000 As\n0.140010 0.640010 0.500000 As\n0.111795 0.111795 0.000000 Pt\n0.861795 0.361795 0.500000 Pt\n0.027955 0.527955 0.500000 Pt\n0.445495 0.445495 0.000000 Pt\n0.195495 0.695495 0.500000 Pt\n0.277955 0.277955 0.000000 Pt\n","nsites":18,"nelements":3,"elements":["Ca","As","Pt"],"chemical_system":"As-Ca-Pt","density":7.7908182989999,"density_atomic":0.04539169867259167,"volume":396.5482792312579,"volume_molar":13.267053087035666,"formula_full":"Ca6 As6 Pt6","formula_reduced":"CaAsPt","formula_anonymous":"ABC","energy":-94.76322918,"energy_per_atom":-5.264623843333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.76322918,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0159167,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.113000Z","spacegroup":109},{"id":"mp-1097285","created_at":"2022-09-04T14:39:19.955981Z","structure_string":"Cs2 Ag1 Au1\n1.0\n-6.847659 6.934044 9.804283\n6.847659 -6.934044 9.804283\n6.847659 6.934044 -9.804283\nCs Ag Au\n2 1 1\ndirect\n0.000000 0.255242 0.255242 Cs\n0.000000 0.744758 0.744758 Cs\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Cs","Ag","Au"],"chemical_system":"Ag-Au-Cs","density":0.5088749556273646,"density_atomic":0.0021481046885357367,"volume":1862.1066381669762,"volume_molar":280.346707129298,"formula_full":"Cs2 Ag1 Au1","formula_reduced":"Cs2AgAu","formula_anonymous":"ABC2","energy":-6.82164255,"energy_per_atom":-1.7054106375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.82164255,"band_gap":1.975,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.510000Z","spacegroup":71},{"id":"mp-758515","created_at":"2022-09-04T14:39:19.977810Z","structure_string":"Li2 Fe3 O6\n1.0\n4.325719 2.483443 0.000000\n-4.325719 2.483443 0.000000\n0.000000 1.608672 4.878273\nLi Fe O\n2 3 6\ndirect\n0.667760 0.332240 0.000000 Li\n0.332240 0.667760 0.000000 Li\n0.834757 0.165243 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.165243 0.834757 0.500000 Fe\n0.748292 0.748292 0.711858 O\n0.440588 0.102201 0.710145 O\n0.102201 0.440588 0.710145 O\n0.897799 0.559412 0.289855 O\n0.559412 0.897799 0.289855 O\n0.251708 0.251708 0.288142 O\n","nsites":11,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.395091646943504,"density_atomic":0.10495039755164964,"volume":104.81141812337135,"volume_molar":5.738082847219611,"formula_full":"Li2 Fe3 O6","formula_reduced":"Li2(FeO2)3","formula_anonymous":"A2B3C6","energy":-77.3701018,"energy_per_atom":-7.0336456181818185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.4801018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9992928,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.632000Z","spacegroup":12},{"id":"mp-1191000","created_at":"2022-09-04T14:39:19.978572Z","structure_string":"Eu6 Si4 Ni12\n1.0\n-4.445142 4.445142 4.445142\n4.445142 -4.445142 4.445142\n4.445142 4.445142 -4.445142\nEu Si Ni\n6 4 12\ndirect\n0.716652 0.716652 0.000000 Eu\n0.283348 0.000000 0.283348 Eu\n0.000000 0.283348 0.283348 Eu\n0.283348 0.283348 0.000000 Eu\n0.716652 0.000000 0.716652 Eu\n0.000000 0.716652 0.716652 Eu\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.329242 0.329242 0.658484 Ni\n0.670758 0.000000 0.329242 Ni\n0.000000 0.670758 0.329242 Ni\n0.670758 0.329242 0.000000 Ni\n0.329242 0.658484 0.329242 Ni\n0.000000 0.329242 0.670758 Ni\n0.329242 0.670758 0.000000 Ni\n0.329242 0.000000 0.670758 Ni\n0.658484 0.329242 0.329242 Ni\n0.670758 0.670758 0.341516 Ni\n0.670758 0.341516 0.670758 Ni\n0.341516 0.670758 0.670758 Ni\n","nsites":22,"nelements":3,"elements":["Eu","Si","Ni"],"chemical_system":"Eu-Ni-Si","density":8.169363221893024,"density_atomic":0.06261894874020907,"volume":351.33135325015917,"volume_molar":9.617122103062464,"formula_full":"Eu6 Si4 Ni12","formula_reduced":"Eu3(SiNi3)2","formula_anonymous":"A2B3C6","energy":-161.59798194,"energy_per_atom":-7.345362815454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.59798194,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":42.4352754,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.818000Z","spacegroup":229},{"id":"mp-15543","created_at":"2022-09-04T14:39:20.099621Z","structure_string":"Na4 Li4 Zr4 Si24 O60\n1.0\n7.282649 -8.775065 0.000000\n7.282649 8.775065 0.000000\n0.000000 0.000000 10.306044\nNa Li Zr Si O\n4 4 4 24 60\ndirect\n0.534379 0.965621 0.750000 Na\n0.965621 0.534379 0.250000 Na\n0.465621 0.034379 0.250000 Na\n0.034379 0.465621 0.750000 Na\n0.753220 0.753220 0.000000 Li\n0.253220 0.253220 0.500000 Li\n0.246780 0.246780 0.000000 Li\n0.746780 0.746780 0.500000 Li\n0.838435 0.661565 0.750000 Zr\n0.661565 0.838435 0.250000 Zr\n0.161565 0.338435 0.250000 Zr\n0.338435 0.161565 0.750000 Zr\n0.236178 0.979628 0.481825 Si\n0.800657 0.415405 0.541007 Si\n0.084595 0.699343 0.958993 Si\n0.415405 0.800657 0.458993 Si\n0.183177 0.036178 0.189018 Si\n0.316823 0.463822 0.689018 Si\n0.036178 0.183177 0.810982 Si\n0.463822 0.316823 0.310982 Si\n0.816823 0.963822 0.810982 Si\n0.683177 0.536178 0.310982 Si\n0.963822 0.816823 0.189018 Si\n0.536178 0.683177 0.689018 Si\n0.699343 0.084595 0.041007 Si\n0.263822 0.520372 0.981825 Si\n0.584595 0.199343 0.541007 Si\n0.520372 0.263822 0.018175 Si\n0.763822 0.020372 0.518175 Si\n0.736178 0.479628 0.018175 Si\n0.020372 0.763822 0.481825 Si\n0.479628 0.736178 0.981825 Si\n0.300657 0.915405 0.958993 Si\n0.199343 0.584595 0.458993 Si\n0.915405 0.300657 0.041007 Si\n0.979628 0.236178 0.518175 Si\n0.751782 0.593370 0.922839 O\n0.321174 0.678826 0.425872 O\n0.178826 0.821174 0.925872 O\n0.678826 0.321174 0.574128 O\n0.943514 0.056486 0.817059 O\n0.556486 0.443514 0.317059 O\n0.056486 0.943514 0.182941 O\n0.443514 0.556486 0.682941 O\n0.892899 0.107101 0.498422 O\n0.607101 0.392899 0.998422 O\n0.107101 0.892899 0.501578 O\n0.392899 0.607101 0.001578 O\n0.346057 0.996086 0.833890 O\n0.153943 0.503914 0.333890 O\n0.996086 0.346057 0.166110 O\n0.503914 0.153943 0.666110 O\n0.653943 0.003914 0.166110 O\n0.846057 0.496086 0.666110 O\n0.003914 0.653943 0.833890 O\n0.496086 0.846057 0.333890 O\n0.278990 0.997401 0.084932 O\n0.221010 0.502599 0.584932 O\n0.997401 0.278990 0.915068 O\n0.831366 0.828534 0.840023 O\n0.721010 0.002599 0.915068 O\n0.778990 0.497401 0.415068 O\n0.002599 0.721010 0.084932 O\n0.497401 0.778990 0.584932 O\n0.168634 0.171466 0.159977 O\n0.331366 0.328534 0.659977 O\n0.171466 0.168634 0.840023 O\n0.328534 0.331366 0.340023 O\n0.405768 0.844438 0.006708 O\n0.094232 0.655562 0.506708 O\n0.844438 0.405768 0.993292 O\n0.655562 0.094232 0.493292 O\n0.594232 0.155562 0.993292 O\n0.905768 0.344438 0.493292 O\n0.155562 0.594232 0.006708 O\n0.344438 0.905768 0.506708 O\n0.593370 0.751782 0.077161 O\n0.906630 0.748218 0.577161 O\n0.821174 0.178826 0.074128 O\n0.748218 0.906630 0.422839 O\n0.406630 0.248218 0.922839 O\n0.093370 0.251782 0.422839 O\n0.248218 0.406630 0.077161 O\n0.251782 0.093370 0.577161 O\n0.524854 0.749865 0.829325 O\n0.975146 0.750135 0.329325 O\n0.749865 0.524854 0.170675 O\n0.750135 0.975146 0.670675 O\n0.475146 0.250135 0.170675 O\n0.024854 0.249865 0.670675 O\n0.250135 0.475146 0.829325 O\n0.249865 0.024854 0.329325 O\n0.671466 0.668634 0.659977 O\n0.828534 0.831366 0.159977 O\n0.668634 0.671466 0.340023 O\n0.502599 0.221010 0.415068 O\n","nsites":96,"nelements":5,"elements":["Na","Li","Zr","Si","O"],"chemical_system":"Li-Na-O-Si-Zr","density":2.6708134024851065,"density_atomic":0.0728801946848105,"volume":1317.2302902753918,"volume_molar":8.263068980597989,"formula_full":"Na4 Li4 Zr4 Si24 O60","formula_reduced":"NaLiZr(Si2O5)3","formula_anonymous":"ABCD6E15","energy":-785.6426943399999,"energy_per_atom":-8.183778066041667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-744.42269434,"band_gap":4.928100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.27e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.829000Z","spacegroup":64},{"id":"mp-1224901","created_at":"2022-09-04T14:39:20.126887Z","structure_string":"Ga1 Fe3 As1\n1.0\n-2.029270 -3.511528 0.000000\n-4.058539 0.000000 0.000000\n0.000000 0.000000 -4.867666\nGa Fe As\n1 3 1\ndirect\n0.333200 0.333400 0.750000 Ga\n0.000005 0.999998 0.501081 Fe\n0.000005 0.999998 0.998919 Fe\n0.666871 0.666564 0.750000 Fe\n0.666519 0.666740 0.250000 As\n","nsites":5,"nelements":3,"elements":["Ga","Fe","As"],"chemical_system":"As-Fe-Ga","density":7.4725182938767105,"density_atomic":0.07207478805942448,"volume":69.37238574850309,"volume_molar":8.355405436690072,"formula_full":"Ga1 Fe3 As1","formula_reduced":"GaFe3As","formula_anonymous":"ABC3","energy":-33.63236181,"energy_per_atom":-6.726472362,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.63236181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2857401,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.031000Z","spacegroup":187},{"id":"mp-1225192","created_at":"2022-09-04T14:39:20.139365Z","structure_string":"Gd1 Fe11 W1\n1.0\n0.000000 0.000000 4.713038\n-4.239277 4.282433 2.356519\n-4.239277 -4.282433 -2.356519\nGd Fe W\n1 11 1\ndirect\n0.006077 0.993923 0.006077 Gd\n0.729608 0.770392 0.229608 Fe\n0.272076 0.227924 0.772076 Fe\n0.498668 0.778627 0.775962 Fe\n0.498668 0.224038 0.221373 Fe\n0.500939 0.998361 0.500932 Fe\n0.001631 0.998361 0.500932 Fe\n0.500939 0.499068 0.001639 Fe\n0.001631 0.499068 0.001639 Fe\n0.357266 0.642734 0.357266 Fe\n0.999766 0.359095 0.358627 Fe\n0.999766 0.641373 0.640905 Fe\n0.632966 0.367034 0.632966 W\n","nsites":13,"nelements":3,"elements":["Gd","Fe","W"],"chemical_system":"Fe-Gd-W","density":9.270735848949556,"density_atomic":0.07596788637625632,"volume":171.12494002548868,"volume_molar":7.927219049077315,"formula_full":"Gd1 Fe11 W1","formula_reduced":"GdFe11W","formula_anonymous":"ABC11","energy":-120.11467737,"energy_per_atom":-9.239590566923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.11467737,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.2182161,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.961000Z","spacegroup":44},{"id":"mp-570597","created_at":"2022-09-04T14:39:20.184344Z","structure_string":"La2 Ge1 I2\n1.0\n2.249432 -3.896130 0.000000\n2.249432 3.896130 0.000000\n0.000000 0.000000 11.037624\nLa Ge I\n2 1 2\ndirect\n0.666667 0.333333 0.652995 La\n0.333333 0.666667 0.347005 La\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.839323 I\n0.666667 0.333333 0.160677 I\n","nsites":5,"nelements":3,"elements":["La","Ge","I"],"chemical_system":"Ge-I-La","density":5.186339684851437,"density_atomic":0.02584390314159431,"volume":193.4692284135975,"volume_molar":23.30197852470551,"formula_full":"La2 Ge1 I2","formula_reduced":"La2GeI2","formula_anonymous":"AB2C2","energy":-24.76932992,"energy_per_atom":-4.953865984,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.01132992,"band_gap":0.3522999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0120909,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.953000Z","spacegroup":164},{"id":"mp-771834","created_at":"2022-09-04T14:39:19.979885Z","structure_string":"Tb12 Nb4 O28\n1.0\n7.499427 0.000000 0.000000\n0.000000 7.634134 0.000000\n0.000000 0.000000 10.642099\nTb Nb O\n12 4 28\ndirect\n0.015441 0.799581 0.250000 Tb\n0.249607 0.966634 0.521786 Tb\n0.249607 0.966634 0.978214 Tb\n0.250393 0.466634 0.021786 Tb\n0.250393 0.466634 0.478214 Tb\n0.484559 0.299581 0.750000 Tb\n0.515441 0.700419 0.250000 Tb\n0.749607 0.533366 0.521786 Tb\n0.749607 0.533366 0.978214 Tb\n0.750393 0.033366 0.021786 Tb\n0.750393 0.033366 0.478214 Tb\n0.984559 0.200419 0.750000 Tb\n0.995615 0.745740 0.750000 Nb\n0.504385 0.245740 0.250000 Nb\n0.495615 0.754260 0.750000 Nb\n0.004385 0.254260 0.250000 Nb\n0.037270 0.045856 0.124651 O\n0.037270 0.045856 0.375349 O\n0.041702 0.590621 0.609799 O\n0.041702 0.590621 0.890201 O\n0.249206 0.338576 0.250000 O\n0.257225 0.732747 0.115916 O\n0.257225 0.732747 0.384084 O\n0.242775 0.232747 0.615916 O\n0.242775 0.232747 0.884084 O\n0.250794 0.838576 0.750000 O\n0.458298 0.090621 0.109799 O\n0.458298 0.090621 0.390201 O\n0.462730 0.545856 0.624651 O\n0.462730 0.545856 0.875349 O\n0.537270 0.454144 0.124651 O\n0.537270 0.454144 0.375349 O\n0.541702 0.909379 0.609799 O\n0.541702 0.909379 0.890201 O\n0.749206 0.161424 0.250000 O\n0.757225 0.767253 0.115916 O\n0.757225 0.767253 0.384084 O\n0.742775 0.267253 0.615916 O\n0.742775 0.267253 0.884084 O\n0.750794 0.661424 0.750000 O\n0.958298 0.409379 0.109799 O\n0.958298 0.409379 0.390201 O\n0.962730 0.954144 0.624651 O\n0.962730 0.954144 0.875349 O\n","nsites":44,"nelements":3,"elements":["Tb","Nb","O"],"chemical_system":"Nb-O-Tb","density":7.431446540453906,"density_atomic":0.07221668036214626,"volume":609.2775211952754,"volume_molar":8.33898862395871,"formula_full":"Tb12 Nb4 O28","formula_reduced":"Tb3NbO7","formula_anonymous":"AB3C7","energy":-398.94538595,"energy_per_atom":-9.066940589772727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-379.70938595,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016547,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.610000Z","spacegroup":62},{"id":"mp-676628","created_at":"2022-09-04T14:39:19.982042Z","structure_string":"K1 V15 S24\n1.0\n8.965668 0.000000 0.000000\n1.463538 9.369169 0.000000\n2.667516 4.368962 8.332863\nK V S\n1 15 24\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.266742 0.277862 0.292674 V\n0.847193 0.019500 0.446363 V\n0.587907 0.468935 0.183626 V\n0.650312 0.264240 0.682493 V\n0.152807 0.980500 0.553637 V\n0.768302 0.280458 0.013891 V\n0.733258 0.722138 0.707326 V\n0.412093 0.531065 0.816374 V\n0.247174 0.193883 0.055421 V\n0.959472 0.131997 0.704720 V\n0.040528 0.868003 0.295280 V\n0.752826 0.806117 0.944579 V\n0.231698 0.719542 0.986109 V\n0.349688 0.735760 0.317507 V\n0.247907 0.183106 0.571005 S\n0.258795 0.926950 0.061741 S\n0.003142 0.782925 0.574329 S\n0.356782 0.608769 0.563553 S\n0.652089 0.183774 0.293515 S\n0.016434 0.277244 0.822909 S\n0.708634 0.000604 0.692095 S\n0.347911 0.816226 0.706485 S\n0.643218 0.391231 0.436447 S\n0.824216 0.539494 0.975280 S\n0.396444 0.273733 0.806213 S\n0.741205 0.073050 0.938259 S\n0.693151 0.462245 0.748291 S\n0.974432 0.137170 0.162137 S\n0.487717 0.329600 0.061308 S\n0.512283 0.670400 0.938692 S\n0.025568 0.862830 0.837863 S\n0.752093 0.816894 0.428995 S\n0.306849 0.537755 0.251709 S\n0.603556 0.726267 0.193787 S\n0.175784 0.460506 0.024720 S\n0.291366 0.999396 0.307905 S\n0.983566 0.722756 0.177091 S\n0.996858 0.217075 0.425671 S\n","nsites":40,"nelements":3,"elements":["K","V","S"],"chemical_system":"K-S-V","density":3.731120961809694,"density_atomic":0.05714549829796875,"volume":699.9676473452295,"volume_molar":10.53825924939753,"formula_full":"K1 V15 S24","formula_reduced":"K(V5S8)3","formula_anonymous":"AB15C24","energy":-275.17405349,"energy_per_atom":-6.87935133725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.10205349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0825153,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.760000Z","spacegroup":2}]}