{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=93","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=91","results":[{"id":"mp-975656","created_at":"2022-09-04T14:39:09.489481Z","structure_string":"Pr2 Ni1 Ir1\n1.0\n0.000000 3.555850 3.555850\n3.555850 0.000000 3.555850\n3.555850 3.555850 0.000000\nPr Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Pr","Ni","Ir"],"chemical_system":"Ir-Ni-Pr","density":9.837674599565817,"density_atomic":0.044483576602469446,"volume":89.92082708965324,"volume_molar":13.537896949737826,"formula_full":"Pr2 Ni1 Ir1","formula_reduced":"Pr2NiIr","formula_anonymous":"ABC2","energy":-25.79033674,"energy_per_atom":-6.447584185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.79033674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029372,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.685000Z","spacegroup":225},{"id":"mp-767566","created_at":"2022-09-04T14:39:09.278735Z","structure_string":"Na4 Tm2 P2 C2 O14\n1.0\n6.936226 0.000000 0.000000\n0.000000 5.332835 0.000000\n0.000000 0.171493 9.191700\nNa Tm P C O\n4 2 2 2 14\ndirect\n0.495649 0.234149 0.776254 Na\n0.004351 0.234149 0.776254 Na\n0.504351 0.765851 0.223746 Na\n0.995649 0.765851 0.223746 Na\n0.750000 0.772996 0.641315 Tm\n0.250000 0.227004 0.358685 Tm\n0.250000 0.709132 0.581103 P\n0.750000 0.290868 0.418897 P\n0.750000 0.731190 0.932810 C\n0.250000 0.268810 0.067190 C\n0.250000 0.292242 0.931332 O\n0.750000 0.950987 0.864205 O\n0.750000 0.535084 0.844464 O\n0.066641 0.796868 0.660197 O\n0.433359 0.796868 0.660197 O\n0.750000 0.182040 0.579312 O\n0.250000 0.416420 0.571793 O\n0.750000 0.583580 0.428207 O\n0.250000 0.817960 0.420688 O\n0.566641 0.203132 0.339803 O\n0.933359 0.203132 0.339803 O\n0.250000 0.464916 0.155536 O\n0.250000 0.049013 0.135795 O\n0.750000 0.707758 0.068668 O\n","nsites":24,"nelements":5,"elements":["Na","Tm","P","C","O"],"chemical_system":"C-Na-O-P-Tm","density":3.6130932397420197,"density_atomic":0.07058851061678623,"volume":339.99867386765214,"volume_molar":8.531332801018062,"formula_full":"Na4 Tm2 P2 C2 O14","formula_reduced":"Na2TmPCO7","formula_anonymous":"ABCD2E7","energy":-179.39823406,"energy_per_atom":-7.474926419166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.78023406,"band_gap":4.2239,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0017121,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.046000Z","spacegroup":11},{"id":"mp-1221922","created_at":"2022-09-04T14:39:09.284266Z","structure_string":"Mn3 Ni3 Sn2\n1.0\n-3.048976 -3.048976 0.000000\n0.000000 3.048976 -3.048976\n3.036197 -3.036197 -6.085173\nMn Ni Sn\n3 3 2\ndirect\n0.248580 0.497159 0.254261 Mn\n0.751149 0.502297 0.746554 Mn\n0.623040 0.246081 0.130879 Mn\n0.127824 0.255648 0.616528 Ni\n0.877780 0.755560 0.366660 Ni\n0.371299 0.742599 0.886102 Ni\n0.004210 0.008419 0.987371 Sn\n0.496118 0.992236 0.511646 Sn\n","nsites":8,"nelements":3,"elements":["Mn","Ni","Sn"],"chemical_system":"Mn-Ni-Sn","density":8.49685822202352,"density_atomic":0.07078403304455107,"volume":113.0198387391242,"volume_molar":8.507767219493836,"formula_full":"Mn3 Ni3 Sn2","formula_reduced":"Mn3Ni3Sn2","formula_anonymous":"A2B3C3","energy":-53.15828043,"energy_per_atom":-6.64478505375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.15828043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.5617899,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.993000Z","spacegroup":160},{"id":"mp-1205236","created_at":"2022-09-04T14:39:09.287809Z","structure_string":"V4 Zn4 Pb4 O20\n1.0\n6.232608 0.000000 0.000000\n0.000000 6.609261 0.000000\n0.000000 0.000000 15.232489\nV Zn Pb O\n4 4 4 20\ndirect\n0.750000 0.312748 0.256835 V\n0.750000 0.812748 0.243165 V\n0.250000 0.687252 0.743165 V\n0.250000 0.187252 0.756835 V\n0.750000 0.479997 0.435743 Zn\n0.750000 0.979997 0.064257 Zn\n0.250000 0.520003 0.564257 Zn\n0.250000 0.020003 0.935743 Zn\n0.750000 0.359785 0.820713 Pb\n0.750000 0.859785 0.679287 Pb\n0.250000 0.640215 0.179287 Pb\n0.250000 0.140215 0.320713 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.750000 0.200446 0.357269 O\n0.750000 0.700446 0.142731 O\n0.250000 0.799554 0.642731 O\n0.250000 0.299554 0.857269 O\n0.750000 0.093557 0.183236 O\n0.750000 0.593557 0.316764 O\n0.250000 0.906443 0.816764 O\n0.250000 0.406443 0.683236 O\n0.471566 0.373996 0.233376 O\n0.028434 0.873996 0.266624 O\n0.971566 0.626004 0.766624 O\n0.528434 0.126004 0.733376 O\n0.528434 0.626004 0.766624 O\n0.971566 0.126004 0.733376 O\n0.028434 0.373996 0.233376 O\n0.471566 0.873996 0.266624 O\n","nsites":32,"nelements":4,"elements":["V","Zn","Pb","O"],"chemical_system":"O-Pb-V-Zn","density":4.271792623636706,"density_atomic":0.050998381079719386,"volume":627.4708985365321,"volume_molar":11.808493980595857,"formula_full":"V4 Zn4 Pb4 O20","formula_reduced":"VZnPbO5","formula_anonymous":"ABCD5","energy":-208.7431385,"energy_per_atom":-6.523223078125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.2031385,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999984,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.587000Z","spacegroup":62},{"id":"mp-1246010","created_at":"2022-09-04T14:39:09.289935Z","structure_string":"Li8 Ag4 N4\n1.0\n5.296757 0.000000 0.000000\n0.000000 7.586814 0.000000\n0.000000 0.000000 4.782959\nLi Ag N\n8 4 4\ndirect\n0.126137 0.773875 0.921553 Li\n0.873863 0.226125 0.421553 Li\n0.373863 0.773875 0.421553 Li\n0.626137 0.226125 0.921553 Li\n0.740803 0.956871 0.092646 Li\n0.259197 0.043129 0.592646 Li\n0.759197 0.956871 0.592646 Li\n0.240803 0.043129 0.092646 Li\n0.903415 0.599943 0.414553 Ag\n0.096585 0.400057 0.914553 Ag\n0.596585 0.599943 0.914553 Ag\n0.403415 0.400057 0.414553 Ag\n0.471133 0.858010 0.821248 N\n0.528867 0.141990 0.321248 N\n0.028867 0.858010 0.321248 N\n0.971133 0.141990 0.821248 N\n","nsites":16,"nelements":3,"elements":["Li","Ag","N"],"chemical_system":"Ag-Li-N","density":4.691425854397009,"density_atomic":0.08324417210483,"volume":192.20564749987642,"volume_molar":7.234309150694988,"formula_full":"Li8 Ag4 N4","formula_reduced":"Li2AgN","formula_anonymous":"ABC2","energy":-61.65068361,"energy_per_atom":-3.853167725625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.20668361,"band_gap":0.0415999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007648,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.085000Z","spacegroup":29},{"id":"mp-1215508","created_at":"2022-09-04T14:39:09.306200Z","structure_string":"Zn1 Ga2 Te4\n1.0\n-2.909163 2.909163 5.641078\n2.909163 -2.909163 5.641078\n2.909163 2.909163 -5.641078\nZn Ga Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.002699 0.502699 0.500000 Te\n0.751522 0.751522 0.000000 Te\n0.497301 0.997301 0.500000 Te\n0.248478 0.248478 0.000000 Te\n","nsites":7,"nelements":3,"elements":["Zn","Ga","Te"],"chemical_system":"Ga-Te-Zn","density":6.2194473108716695,"density_atomic":0.036655557833068314,"volume":190.9669478194394,"volume_molar":16.42899771823199,"formula_full":"Zn1 Ga2 Te4","formula_reduced":"Zn(GaTe2)2","formula_anonymous":"AB2C4","energy":-22.19643755,"energy_per_atom":-3.1709196499999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.50843755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0559818,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.830000Z","spacegroup":119},{"id":"mp-1191663","created_at":"2022-09-04T14:39:09.310494Z","structure_string":"Te16 Ru2 Cl4\n1.0\n7.340214 4.671326 0.000000\n-7.340214 4.671326 0.000000\n0.000000 4.234243 9.828234\nTe Ru Cl\n16 2 4\ndirect\n0.784882 0.091280 0.146571 Te\n0.908720 0.215118 0.353429 Te\n0.215118 0.908720 0.853429 Te\n0.091280 0.784882 0.646571 Te\n0.981176 0.756178 0.210911 Te\n0.243822 0.018824 0.289089 Te\n0.018824 0.243822 0.789089 Te\n0.756178 0.981176 0.710911 Te\n0.748629 0.710743 0.471034 Te\n0.289257 0.251371 0.028966 Te\n0.251371 0.289257 0.528966 Te\n0.710743 0.748629 0.971034 Te\n0.509614 0.792183 0.367737 Te\n0.207817 0.490386 0.132263 Te\n0.490386 0.207817 0.632263 Te\n0.792183 0.509614 0.867737 Te\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.592039 0.407961 0.250000 Cl\n0.407961 0.592039 0.750000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.000000 Cl\n","nsites":22,"nelements":3,"elements":["Te","Ru","Cl"],"chemical_system":"Cl-Ru-Te","density":5.877377730611681,"density_atomic":0.03264136401657217,"volume":673.9914419271969,"volume_molar":18.449415156004296,"formula_full":"Te16 Ru2 Cl4","formula_reduced":"Te8RuCl2","formula_anonymous":"AB2C8","energy":-89.96419706999998,"energy_per_atom":-4.0892816849999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.75619707,"band_gap":0.1775999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.14e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.297000Z","spacegroup":15},{"id":"mp-1076172","created_at":"2022-09-04T14:39:09.316822Z","structure_string":"La28 Sm4 Mn16 Fe16 O80\n1.0\n-0.006804 0.001334 11.075855\n11.855805 0.002749 -0.006997\n-5.920659 15.898421 -5.532324\nLa Sm Mn Fe O\n28 4 16 16 80\ndirect\n0.300012 0.065028 0.110417 La\n0.302127 0.065130 0.609296 La\n0.302376 0.565599 0.609933 La\n0.802226 0.065790 0.609774 La\n0.801483 0.564858 0.108773 La\n0.802409 0.565488 0.609979 La\n0.193016 0.433494 0.389651 La\n0.191606 0.436120 0.892119 La\n0.191531 0.933923 0.388485 La\n0.192460 0.935249 0.890268 La\n0.693060 0.434375 0.389836 La\n0.692186 0.934171 0.389732 La\n0.691635 0.935075 0.890721 La\n0.051786 0.294249 0.110030 La\n0.052267 0.294764 0.609911 La\n0.052256 0.794273 0.609605 La\n0.554111 0.292939 0.109799 La\n0.553003 0.295316 0.611430 La\n0.548738 0.794276 0.110228 La\n0.552578 0.793662 0.609584 La\n0.442850 0.205722 0.389968 La\n0.445452 0.207066 0.890576 La\n0.440967 0.705038 0.388443 La\n0.441296 0.704660 0.890335 La\n0.941519 0.204365 0.388294 La\n0.940378 0.206766 0.890435 La\n0.942017 0.705324 0.388998 La\n0.941341 0.705028 0.890944 La\n0.297633 0.567889 0.108983 Sm\n0.799721 0.065543 0.108317 Sm\n0.691054 0.433440 0.891815 Sm\n0.050652 0.793234 0.109213 Sm\n0.105285 0.094991 0.247693 Mn\n0.110130 0.099177 0.751046 Mn\n0.110043 0.598010 0.248297 Mn\n0.108968 0.596969 0.750466 Mn\n0.610566 0.096252 0.249015 Mn\n0.609618 0.098580 0.750347 Mn\n0.605936 0.596881 0.248097 Mn\n0.610040 0.596936 0.751949 Mn\n0.358697 0.403613 0.248266 Mn\n0.360965 0.402526 0.750911 Mn\n0.355887 0.900769 0.248485 Mn\n0.359581 0.903005 0.750409 Mn\n0.859266 0.401262 0.248988 Mn\n0.857628 0.402890 0.751582 Mn\n0.859600 0.901917 0.247076 Mn\n0.859548 0.902924 0.750817 Mn\n0.005204 0.999280 0.001391 Fe\n0.004914 0.000004 0.499503 Fe\n0.005357 0.501641 0.001411 Fe\n0.005279 0.499731 0.499656 Fe\n0.505567 0.999796 0.000630 Fe\n0.504560 0.999933 0.499685 Fe\n0.505375 0.500621 0.000818 Fe\n0.505310 0.499981 0.499919 Fe\n0.256866 0.252096 0.001593 Fe\n0.254952 0.249462 0.499647 Fe\n0.254188 0.751158 0.000958 Fe\n0.255186 0.749951 0.499795 Fe\n0.756049 0.249200 0.000491 Fe\n0.754963 0.249872 0.499896 Fe\n0.755733 0.750074 0.001128 Fe\n0.754641 0.749873 0.499514 Fe\n0.114729 0.116720 0.477195 O\n0.114917 0.119105 0.978096 O\n0.114994 0.617130 0.477437 O\n0.114294 0.621647 0.981466 O\n0.614815 0.116756 0.477399 O\n0.616514 0.116886 0.978522 O\n0.615343 0.617380 0.478427 O\n0.614748 0.614317 0.975622 O\n0.141130 0.388067 0.025320 O\n0.137559 0.382299 0.521687 O\n0.135208 0.882213 0.026390 O\n0.136854 0.882200 0.520764 O\n0.636523 0.380424 0.019853 O\n0.637109 0.381871 0.521684 O\n0.639183 0.884786 0.024303 O\n0.637119 0.882574 0.521538 O\n0.364879 0.110606 0.477963 O\n0.366761 0.111498 0.978680 O\n0.365516 0.611032 0.478014 O\n0.363551 0.610748 0.979403 O\n0.865310 0.111278 0.478354 O\n0.864896 0.108695 0.979894 O\n0.865477 0.610953 0.477875 O\n0.860542 0.605781 0.974766 O\n0.387834 0.395211 0.026099 O\n0.387308 0.388696 0.520939 O\n0.385131 0.889644 0.021772 O\n0.387506 0.889124 0.521981 O\n0.886228 0.388109 0.020069 O\n0.887554 0.389362 0.521770 O\n0.889351 0.892132 0.028913 O\n0.886625 0.888806 0.520635 O\n0.098661 0.119186 0.139727 O\n0.095227 0.116481 0.639256 O\n0.103595 0.619889 0.139213 O\n0.095442 0.616369 0.639429 O\n0.605697 0.115698 0.139614 O\n0.595624 0.117028 0.639100 O\n0.601035 0.617926 0.139198 O\n0.596208 0.615228 0.640307 O\n0.455603 0.384337 0.359756 O\n0.465744 0.384286 0.860749 O\n0.453002 0.883378 0.360219 O\n0.455606 0.882793 0.861202 O\n0.955865 0.382941 0.360464 O\n0.959341 0.384018 0.861676 O\n0.956102 0.883793 0.359125 O\n0.957296 0.883741 0.861935 O\n0.349148 0.270592 0.139834 O\n0.346566 0.272989 0.639376 O\n0.348454 0.770119 0.139546 O\n0.345336 0.773083 0.639343 O\n0.845334 0.269707 0.138670 O\n0.843648 0.273806 0.639898 O\n0.857313 0.769687 0.139474 O\n0.845758 0.773303 0.639506 O\n0.203859 0.224567 0.359282 O\n0.210159 0.229323 0.861552 O\n0.206397 0.727501 0.360199 O\n0.205678 0.727481 0.861232 O\n0.706472 0.226781 0.360277 O\n0.706868 0.229463 0.861080 O\n0.703533 0.726120 0.359721 O\n0.707046 0.729434 0.861723 O\n0.419177 0.070581 0.249893 O\n0.418438 0.072786 0.750295 O\n0.411779 0.573016 0.244371 O\n0.417505 0.572764 0.750099 O\n0.911566 0.072499 0.244495 O\n0.918296 0.073047 0.750550 O\n0.919369 0.571030 0.249167 O\n0.917272 0.571870 0.750459 O\n0.168068 0.428222 0.249972 O\n0.169499 0.427768 0.750828 O\n0.161690 0.922854 0.244349 O\n0.168014 0.928407 0.750288 O\n0.667850 0.428280 0.249731 O\n0.667650 0.427669 0.755877 O\n0.669032 0.926444 0.249727 O\n0.668025 0.928438 0.750020 O\n","nsites":144,"nelements":5,"elements":["La","Sm","Mn","Fe","O"],"chemical_system":"Fe-La-Mn-O-Sm","density":5.99916900047493,"density_atomic":0.06896752084252561,"volume":2087.9393407339808,"volume_molar":8.731850422390023,"formula_full":"La28 Sm4 Mn16 Fe16 O80","formula_reduced":"La7SmMn4(FeO5)4","formula_anonymous":"AB4C4D7E20","energy":-1242.52180371,"energy_per_atom":-8.628623636875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1124.77780371,"band_gap":0.9926000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":143.7929839,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.686000Z","spacegroup":1},{"id":"mp-1238818","created_at":"2022-09-04T14:39:09.338528Z","structure_string":"Ti6\n1.0\n-1.464038 -2.535788 0.000000\n-1.464039 2.535788 0.000000\n0.000000 0.000000 -28.087341\nTi\n6\ndirect\n0.666667 0.333333 0.704382 Ti\n0.333333 0.666667 0.626464 Ti\n0.666667 0.333333 0.540896 Ti\n0.333333 0.666667 0.459104 Ti\n0.666667 0.333333 0.373536 Ti\n0.333333 0.666667 0.295618 Ti\n","nsites":6,"nelements":1,"elements":["Ti"],"chemical_system":"Ti","density":2.2868121704973263,"density_atomic":0.02877035282590335,"volume":208.54801594917902,"volume_molar":20.93175845441135,"formula_full":"Ti6","formula_reduced":"Ti","formula_anonymous":"A","energy":-45.51110526,"energy_per_atom":-7.58518421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.51110526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.609971,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.168000Z","spacegroup":164},{"id":"mp-1079839","created_at":"2022-09-04T14:39:09.339802Z","structure_string":"Ba2 Gd1 Mo1 O6\n1.0\n6.042211 0.000000 0.000000\n-0.070501 6.053429 0.000000\n-2.981399 -3.025346 4.319797\nBa Gd Mo O\n2 1 1 6\ndirect\n0.253282 0.751691 0.502665 Ba\n0.746718 0.248309 0.497335 Ba\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 Mo\n0.723704 0.734774 0.473645 O\n0.276296 0.265226 0.526355 O\n0.758929 0.286926 0.008942 O\n0.241071 0.713074 0.991058 O\n0.713376 0.759968 0.013044 O\n0.286624 0.240032 0.986956 O\n","nsites":10,"nelements":4,"elements":["Ba","Gd","Mo","O"],"chemical_system":"Ba-Gd-Mo-O","density":6.556346761178886,"density_atomic":0.06329061580627661,"volume":158.00130671201794,"volume_molar":9.51506109283705,"formula_full":"Ba2 Gd1 Mo1 O6","formula_reduced":"Ba2GdMoO6","formula_anonymous":"ABC2D6","energy":-88.85329847999999,"energy_per_atom":-8.885329848,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.52929848,"band_gap":0.9083,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0007546,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.636000Z","spacegroup":2},{"id":"mp-1219127","created_at":"2022-09-04T14:39:09.342429Z","structure_string":"Re3 Hg1 O9\n1.0\n3.719872 -6.443008 0.000000\n3.719872 6.443008 0.000000\n0.000000 0.000000 3.789363\nRe Hg O\n3 1 9\ndirect\n0.500000 0.500000 0.496250 Re\n0.500000 0.000000 0.496250 Re\n0.000000 0.500000 0.496250 Re\n0.000000 0.000000 0.744036 Hg\n0.574810 0.787405 0.501667 O\n0.212595 0.787405 0.501667 O\n0.212595 0.425190 0.501667 O\n0.787405 0.574810 0.501667 O\n0.787405 0.212595 0.501667 O\n0.425190 0.212595 0.501667 O\n0.500000 0.500000 0.998403 O\n0.500000 0.000000 0.998403 O\n0.000000 0.500000 0.998403 O\n","nsites":13,"nelements":3,"elements":["Re","Hg","O"],"chemical_system":"Hg-O-Re","density":8.257010681031037,"density_atomic":0.07156991140636096,"volume":181.64057694843802,"volume_molar":8.414347093162347,"formula_full":"Re3 Hg1 O9","formula_reduced":"Re3HgO9","formula_anonymous":"AB3C9","energy":-106.68709585,"energy_per_atom":-8.206699680769232,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.50409585,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0978909,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.522000Z","spacegroup":183},{"id":"mp-677611","created_at":"2022-09-04T14:39:05.822181Z","structure_string":"Tl2 Ag2 As4 Pb2 S10\n1.0\n8.099882 0.000000 0.000000\n3.404295 7.482222 0.000000\n2.315271 3.268421 8.372890\nTl Ag As Pb S\n2 2 4 2 10\ndirect\n0.695872 0.853830 0.864232 Tl\n0.304128 0.146170 0.135768 Tl\n0.890253 0.244012 0.912744 Ag\n0.109747 0.755988 0.087256 Ag\n0.889317 0.954551 0.372885 As\n0.550715 0.383363 0.191519 As\n0.449285 0.616637 0.808481 As\n0.110683 0.045449 0.627115 As\n0.751363 0.540540 0.407252 Pb\n0.248637 0.459460 0.592748 Pb\n0.816601 0.434703 0.091709 S\n0.869125 0.691581 0.589478 S\n0.787801 0.919720 0.183233 S\n0.631895 0.177874 0.450979 S\n0.378147 0.651115 0.247384 S\n0.621853 0.348885 0.752616 S\n0.368105 0.822126 0.549021 S\n0.212199 0.080280 0.816767 S\n0.130875 0.308419 0.410522 S\n0.183399 0.565297 0.908291 S\n","nsites":20,"nelements":5,"elements":["Tl","Ag","As","Pb","S"],"chemical_system":"Ag-As-Pb-S-Tl","density":5.429670583627168,"density_atomic":0.03941352953206628,"volume":507.4399638258301,"volume_molar":15.279374447042283,"formula_full":"Tl2 Ag2 As4 Pb2 S10","formula_reduced":"TlAgAs2PbS5","formula_anonymous":"ABCD2E5","energy":-88.07146653000001,"energy_per_atom":-4.4035733265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.04146653000001,"band_gap":1.5879999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046417,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.727000Z","spacegroup":2}]}