{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10243","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10241","results":[{"id":"mp-1094534","created_at":"2022-09-04T14:45:59.384021Z","structure_string":"Mg3 Sb3\n1.0\n1.611991 -8.948681 0.000000\n1.611991 8.948681 0.000000\n0.000000 0.000000 5.168795\nMg Sb\n3 3\ndirect\n0.001180 0.998820 0.000000 Mg\n0.664431 0.335569 0.000000 Mg\n0.782323 0.217677 0.500000 Mg\n0.312927 0.687073 0.000000 Sb\n0.127327 0.872673 0.500000 Sb\n0.445146 0.554854 0.500000 Sb\n","nsites":6,"nelements":2,"elements":["Mg","Sb"],"chemical_system":"Mg-Sb","density":4.879502806710197,"density_atomic":0.04023558381676476,"volume":149.12173332253252,"volume_molar":14.967201140724555,"formula_full":"Mg3 Sb3","formula_reduced":"MgSb","formula_anonymous":"AB","energy":-18.12752166,"energy_per_atom":-3.02125361,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.55152166,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015218,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.606000Z","spacegroup":38},{"id":"mp-1021676","created_at":"2022-09-04T14:45:59.385957Z","structure_string":"Mg12 V2 Bi2\n1.0\n5.112151 0.000000 0.000000\n0.000000 6.452635 0.000000\n0.000000 0.000000 10.891942\nMg V Bi\n12 2 2\ndirect\n0.000000 0.241392 0.080071 Mg\n0.000000 0.758608 0.080071 Mg\n0.000000 0.500000 0.835025 Mg\n0.500000 0.245522 0.914767 Mg\n0.500000 0.754478 0.914767 Mg\n0.500000 0.500000 0.667778 Mg\n0.000000 0.741392 0.580071 Mg\n0.000000 0.258608 0.580071 Mg\n0.000000 0.000000 0.335025 Mg\n0.500000 0.745522 0.414767 Mg\n0.500000 0.254478 0.414767 Mg\n0.500000 0.000000 0.167778 Mg\n0.000000 0.500000 0.335700 V\n0.000000 0.000000 0.835700 V\n0.500000 0.500000 0.171821 Bi\n0.500000 0.000000 0.671821 Bi\n","nsites":16,"nelements":3,"elements":["Mg","V","Bi"],"chemical_system":"Bi-Mg-V","density":3.7505379345756507,"density_atomic":0.044532173233031457,"volume":359.2907967072243,"volume_molar":13.523123447146558,"formula_full":"Mg12 V2 Bi2","formula_reduced":"Mg6VBi","formula_anonymous":"ABC6","energy":-43.47127941,"energy_per_atom":-2.716954963125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.47127941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.42945,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.903000Z","spacegroup":38},{"id":"mp-696778","created_at":"2022-09-04T14:45:59.394008Z","structure_string":"Cu6 Mo4 H4 O20\n1.0\n14.204946 0.000000 0.000000\n0.000000 5.469826 0.000000\n0.000000 4.733934 5.661880\nCu Mo H O\n6 4 4 20\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.596205 0.622384 0.010756 Cu\n0.903795 0.622384 0.510756 Cu\n0.403795 0.377616 0.989244 Cu\n0.096205 0.377616 0.489244 Cu\n0.653909 0.421113 0.621926 Mo\n0.846091 0.421113 0.121926 Mo\n0.346091 0.578887 0.378074 Mo\n0.153909 0.578887 0.878074 Mo\n0.558024 0.068911 0.140038 H\n0.941976 0.068911 0.640038 H\n0.441976 0.931089 0.859962 H\n0.058024 0.931089 0.359962 H\n0.722441 0.454681 0.063638 O\n0.777559 0.454681 0.563638 O\n0.277559 0.545319 0.936362 O\n0.222441 0.545319 0.436362 O\n0.591608 0.447200 0.401597 O\n0.908392 0.447200 0.901597 O\n0.408392 0.552800 0.598403 O\n0.091608 0.552800 0.098403 O\n0.627869 0.038681 0.908920 O\n0.872131 0.038681 0.408920 O\n0.372131 0.961319 0.091080 O\n0.127869 0.961319 0.591080 O\n0.612829 0.738229 0.618468 O\n0.887171 0.738229 0.118468 O\n0.387171 0.261771 0.381532 O\n0.112829 0.261771 0.881532 O\n0.526944 0.208763 0.162370 O\n0.973056 0.208763 0.662370 O\n0.473056 0.791237 0.837630 O\n0.026944 0.791237 0.337630 O\n","nsites":34,"nelements":4,"elements":["Cu","Mo","H","O"],"chemical_system":"Cu-H-Mo-O","density":4.1107915479674375,"density_atomic":0.07728677012320573,"volume":439.9200528861451,"volume_molar":7.791942593020617,"formula_full":"Cu6 Mo4 H4 O20","formula_reduced":"Cu3Mo2(HO5)2","formula_anonymous":"A2B2C3D10","energy":-229.44518359,"energy_per_atom":-6.748387752647059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.89718359,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9987041,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.188000Z","spacegroup":14},{"id":"mp-1184538","created_at":"2022-09-04T14:45:59.409400Z","structure_string":"Gd1 Y3\n1.0\n-2.535938 2.535938 5.096015\n2.535938 -2.535938 5.096015\n2.535938 2.535938 -5.096015\nGd Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n","nsites":4,"nelements":2,"elements":["Gd","Y"],"chemical_system":"Gd-Y","density":5.370488154153359,"density_atomic":0.03051350097468616,"volume":131.08951356707246,"volume_molar":19.735987571521,"formula_full":"Gd1 Y3","formula_reduced":"GdY3","formula_anonymous":"AB3","energy":-33.38516844,"energy_per_atom":-8.34629211,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.38516844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.4117375,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.843000Z","spacegroup":139},{"id":"mp-10495","created_at":"2022-09-04T14:45:59.547499Z","structure_string":"Nd4 Cu4 S8\n1.0\n7.203570 0.000000 0.000000\n0.000000 6.511510 0.000000\n0.000000 0.904438 6.829500\nNd Cu S\n4 4 8\ndirect\n0.949877 0.809099 0.799793 Nd\n0.449877 0.190901 0.700207 Nd\n0.050123 0.190901 0.200207 Nd\n0.550123 0.809099 0.299793 Nd\n0.663852 0.425664 0.048858 Cu\n0.336148 0.574336 0.951142 Cu\n0.163852 0.574336 0.451142 Cu\n0.836148 0.425664 0.548858 Cu\n0.726040 0.084795 0.001271 S\n0.226040 0.915205 0.498729 S\n0.273960 0.915205 0.998729 S\n0.773960 0.084795 0.501271 S\n0.114253 0.410230 0.777639 S\n0.385747 0.410230 0.277639 S\n0.885747 0.589770 0.222361 S\n0.614253 0.589770 0.722361 S\n","nsites":16,"nelements":3,"elements":["Nd","Cu","S"],"chemical_system":"Cu-Nd-S","density":5.638046379234985,"density_atomic":0.04994609980787574,"volume":320.3453335004357,"volume_molar":12.057279313429795,"formula_full":"Nd4 Cu4 S8","formula_reduced":"NdCuS2","formula_anonymous":"ABC2","energy":-94.61528815,"energy_per_atom":-5.913455509375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.59128815,"band_gap":1.0776000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007788,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.889000Z","spacegroup":14},{"id":"mp-1196130","created_at":"2022-09-04T14:45:59.338681Z","structure_string":"K4 Fe8 P8 O44\n1.0\n9.679332 0.000000 0.000000\n0.000000 9.616505 0.000000\n0.000000 7.832913 9.527462\nK Fe P O\n4 8 8 44\ndirect\n0.694685 0.374894 0.017887 K\n0.805315 0.374894 0.517887 K\n0.305315 0.625106 0.982113 K\n0.194685 0.625106 0.482113 K\n0.052716 0.975309 0.900258 Fe\n0.447284 0.975309 0.400258 Fe\n0.947284 0.024691 0.099742 Fe\n0.552716 0.024691 0.599742 Fe\n0.737520 0.727862 0.090530 Fe\n0.762480 0.727862 0.590530 Fe\n0.262480 0.272138 0.909470 Fe\n0.237520 0.272138 0.409470 Fe\n0.028787 0.634302 0.215571 P\n0.471213 0.634302 0.715571 P\n0.971213 0.365698 0.784429 P\n0.528787 0.365698 0.284429 P\n0.827916 0.850378 0.782698 P\n0.672084 0.850378 0.282698 P\n0.172084 0.149622 0.217302 P\n0.327916 0.149622 0.717302 P\n0.100708 0.721514 0.073238 O\n0.399292 0.721514 0.573238 O\n0.899292 0.278486 0.926762 O\n0.600708 0.278486 0.426762 O\n0.616307 0.517942 0.158449 O\n0.883693 0.517942 0.658449 O\n0.383693 0.482058 0.841551 O\n0.116307 0.482058 0.341551 O\n0.986521 0.230326 0.753947 O\n0.513479 0.230326 0.253947 O\n0.013479 0.769674 0.246053 O\n0.486521 0.769674 0.746053 O\n0.884543 0.556934 0.223037 O\n0.615457 0.556934 0.723037 O\n0.115457 0.443066 0.776963 O\n0.384543 0.443066 0.276963 O\n0.767873 0.725206 0.933237 O\n0.732127 0.725206 0.433237 O\n0.232127 0.274794 0.066763 O\n0.267873 0.274794 0.566763 O\n0.974445 0.911528 0.787610 O\n0.525555 0.911528 0.287610 O\n0.025555 0.088472 0.212390 O\n0.474445 0.088472 0.712390 O\n0.234629 0.984843 0.819696 O\n0.265371 0.984843 0.319696 O\n0.765371 0.015157 0.180304 O\n0.734629 0.015157 0.680304 O\n0.657142 0.733925 0.235916 O\n0.842858 0.733925 0.735916 O\n0.342858 0.266075 0.764084 O\n0.157142 0.266075 0.264084 O\n0.871772 0.928322 0.008901 O\n0.628228 0.928322 0.508901 O\n0.128228 0.071678 0.991099 O\n0.371772 0.071678 0.491099 O\n0.557228 0.883807 0.989597 O\n0.942772 0.883807 0.489597 O\n0.442772 0.116193 0.010403 O\n0.057228 0.116193 0.510403 O\n0.617099 0.141995 0.849981 O\n0.882901 0.141995 0.349981 O\n0.382901 0.858005 0.150019 O\n0.117099 0.858005 0.650019 O\n","nsites":64,"nelements":4,"elements":["K","Fe","P","O"],"chemical_system":"Fe-K-O-P","density":2.9114974011149206,"density_atomic":0.0721672407236248,"volume":886.8289733439793,"volume_molar":8.344701418005831,"formula_full":"K4 Fe8 P8 O44","formula_reduced":"KFe2P2O11","formula_anonymous":"AB2C2D11","energy":-445.98720962,"energy_per_atom":-6.9685501503125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-397.71120962,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":44.0047123,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.553000Z","spacegroup":14},{"id":"mp-1218206","created_at":"2022-09-04T14:45:59.343208Z","structure_string":"Sr4 Mn4 O12\n1.0\n2.762758 -4.785238 0.000000\n2.762758 4.785238 0.000000\n0.000000 0.000000 9.292450\nSr Mn O\n4 4 12\ndirect\n0.333333 0.666667 0.247607 Sr\n0.666667 0.333333 0.747607 Sr\n0.000000 0.000000 0.489510 Sr\n0.000000 0.000000 0.989510 Sr\n0.333333 0.666667 0.887120 Mn\n0.666667 0.333333 0.112978 Mn\n0.666667 0.333333 0.387120 Mn\n0.333333 0.666667 0.612978 Mn\n0.499719 0.500281 0.499841 O\n0.499719 0.999437 0.499841 O\n0.000563 0.500281 0.499841 O\n0.500281 0.499719 0.999841 O\n0.500281 0.000563 0.999841 O\n0.999437 0.499719 0.999841 O\n0.181021 0.362042 0.750425 O\n0.637958 0.818979 0.750425 O\n0.181021 0.818979 0.750425 O\n0.818979 0.637958 0.250425 O\n0.362042 0.181021 0.250425 O\n0.818979 0.181021 0.250425 O\n","nsites":20,"nelements":3,"elements":["Sr","Mn","O"],"chemical_system":"Mn-O-Sr","density":5.151404564109284,"density_atomic":0.08139980772473046,"volume":245.70082607116166,"volume_molar":7.398224797244066,"formula_full":"Sr4 Mn4 O12","formula_reduced":"SrMnO3","formula_anonymous":"ABC3","energy":-152.52661505999998,"energy_per_atom":-7.6263307529999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.61061506,"band_gap":0.9515000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":11.9985,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.244000Z","spacegroup":186},{"id":"mp-759185","created_at":"2022-09-04T14:45:59.347605Z","structure_string":"Li2 Sb2 P8 O24\n1.0\n4.336488 6.294723 0.000000\n-4.336488 6.294723 0.000000\n0.000000 5.493128 9.311622\nLi Sb P O\n2 2 8 24\ndirect\n0.994651 0.005349 0.250000 Li\n0.005349 0.994651 0.750000 Li\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.694099 0.680602 0.810692 P\n0.254335 0.725538 0.978061 P\n0.274462 0.745665 0.521939 P\n0.680602 0.694099 0.310692 P\n0.319398 0.305901 0.689308 P\n0.725538 0.254335 0.478061 P\n0.745665 0.274462 0.021939 P\n0.305901 0.319398 0.189308 P\n0.791733 0.648285 0.667361 O\n0.285924 0.803978 0.074189 O\n0.465383 0.684454 0.854491 O\n0.098720 0.832578 0.909963 O\n0.862554 0.718229 0.321288 O\n0.225547 0.501637 0.067879 O\n0.803978 0.285924 0.574189 O\n0.167422 0.901280 0.590037 O\n0.498363 0.774453 0.432121 O\n0.648285 0.791733 0.167361 O\n0.315546 0.534617 0.645509 O\n0.281771 0.137446 0.178712 O\n0.718229 0.862554 0.821288 O\n0.684454 0.465383 0.354491 O\n0.351715 0.208267 0.832639 O\n0.501637 0.225547 0.567879 O\n0.832578 0.098720 0.409963 O\n0.196022 0.714076 0.425811 O\n0.774453 0.498363 0.932121 O\n0.137446 0.281771 0.678712 O\n0.901280 0.167422 0.090037 O\n0.534617 0.315546 0.145509 O\n0.714076 0.196022 0.925811 O\n0.208267 0.351715 0.332639 O\n","nsites":36,"nelements":4,"elements":["Li","Sb","P","O"],"chemical_system":"Li-O-P-Sb","density":2.9044743924416028,"density_atomic":0.07081616346809061,"volume":508.35851925558507,"volume_molar":8.503907109728623,"formula_full":"Li2 Sb2 P8 O24","formula_reduced":"LiSb(PO3)4","formula_anonymous":"ABC4D12","energy":-264.00595774,"energy_per_atom":-7.333498826111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.51795774,"band_gap":3.5233,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.064000Z","spacegroup":15},{"id":"mp-754209","created_at":"2022-09-04T14:45:59.351987Z","structure_string":"Li4 Cr3 Ni1 O8\n1.0\n5.900234 0.000000 0.000000\n0.000000 5.092629 0.000000\n0.000000 1.725362 4.796172\nLi Cr Ni O\n4 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.757338 0.500000 0.500000 Li\n0.242662 0.500000 0.500000 Li\n0.750322 0.000000 0.000000 Cr\n0.249678 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Ni\n0.000000 0.765480 0.233025 O\n0.500000 0.752092 0.225543 O\n0.733870 0.741899 0.775106 O\n0.733870 0.258101 0.224894 O\n0.266130 0.741899 0.775106 O\n0.000000 0.234520 0.766975 O\n0.266130 0.258101 0.224894 O\n0.500000 0.247908 0.774457 O\n","nsites":16,"nelements":4,"elements":["Li","Cr","Ni","O"],"chemical_system":"Cr-Li-Ni-O","density":4.268369462262265,"density_atomic":0.1110232556990845,"volume":144.1139507146694,"volume_molar":5.42421560427151,"formula_full":"Li4 Cr3 Ni1 O8","formula_reduced":"Li4Cr3NiO8","formula_anonymous":"AB3C4D8","energy":-116.92459389,"energy_per_atom":-7.307787118125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.89059389,"band_gap":0.4365999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0023998,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.438000Z","spacegroup":10},{"id":"mp-1113355","created_at":"2022-09-04T14:45:59.355088Z","structure_string":"Cs2 Pr1 Cu1 Br6\n1.0\n0.000000 5.640971 5.640971\n5.640971 0.000000 5.640971\n5.640971 5.640971 0.000000\nCs Pr Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.758727 0.241273 0.241273 Br\n0.241273 0.241273 0.758727 Br\n0.241273 0.758727 0.758727 Br\n0.241273 0.758727 0.241273 Br\n0.758727 0.241273 0.758727 Br\n0.758727 0.758727 0.241273 Br\n","nsites":10,"nelements":4,"elements":["Cs","Pr","Cu","Br"],"chemical_system":"Br-Cs-Cu-Pr","density":4.392772423526979,"density_atomic":0.027855336114579275,"volume":358.9976426371705,"volume_molar":21.61934336469218,"formula_full":"Cs2 Pr1 Cu1 Br6","formula_reduced":"Cs2PrCuBr6","formula_anonymous":"ABC2D6","energy":-38.90528061,"energy_per_atom":-3.890528061,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.70128061,"band_gap":2.1974,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005401,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.142000Z","spacegroup":225},{"id":"mp-1217885","created_at":"2022-09-04T14:45:59.359313Z","structure_string":"U12 Cd4 H6 C4 O51\n1.0\n7.056008 0.106340 -0.836727\n-0.403380 10.971532 -3.518923\n0.333650 -0.084824 15.276545\nU Cd H C O\n12 4 6 4 51\ndirect\n0.652554 0.925937 0.308820 U\n0.347861 0.073905 0.691298 U\n0.162916 0.736478 0.296976 U\n0.837527 0.263502 0.703390 U\n0.162620 0.097427 0.290383 U\n0.837234 0.902282 0.709718 U\n0.659831 0.229168 0.271069 U\n0.339364 0.771129 0.729150 U\n0.145447 0.409699 0.270924 U\n0.855114 0.590331 0.729875 U\n0.654596 0.592933 0.272991 U\n0.345950 0.407052 0.726925 U\n0.401463 0.712255 0.072573 Cd\n0.598470 0.287747 0.927701 Cd\n0.998367 0.355227 0.499027 Cd\n0.001103 0.644789 0.501303 Cd\n0.262156 0.122656 0.931901 H\n0.737749 0.877521 0.068263 H\n0.131682 0.109398 0.023250 H\n0.868141 0.890627 0.976810 H\n0.034202 0.186641 0.945134 H\n0.965691 0.813466 0.054984 H\n0.243782 0.288489 0.045975 C\n0.755972 0.711523 0.954269 C\n0.165598 0.168545 0.982806 C\n0.834222 0.831525 0.017312 C\n0.148729 0.749235 0.420761 O\n0.851521 0.250813 0.579646 O\n0.716922 0.311587 0.398253 O\n0.278609 0.690607 0.603657 O\n0.573235 0.869433 0.182230 O\n0.427123 0.130562 0.817758 O\n0.149466 0.344415 0.115359 O\n0.850529 0.655598 0.884878 O\n0.846694 0.773728 0.290256 O\n0.153501 0.225923 0.709676 O\n0.486618 0.765723 0.315835 O\n0.513527 0.234564 0.684330 O\n0.724125 0.610855 0.397678 O\n0.277316 0.388725 0.601711 O\n0.175969 0.710794 0.170520 O\n0.824415 0.288798 0.829843 O\n0.596329 0.588485 0.148417 O\n0.403423 0.411099 0.851541 O\n0.209927 0.547592 0.975951 O\n0.789960 0.452409 0.024245 O\n0.977592 0.550602 0.256798 O\n0.023022 0.448737 0.743272 O\n0.715306 0.979741 0.433295 O\n0.285421 0.020335 0.566718 O\n0.660667 0.401802 0.241326 O\n0.338634 0.597200 0.758544 O\n0.175981 0.015704 0.164575 O\n0.823003 0.983923 0.835365 O\n0.392755 0.337875 0.034877 O\n0.607188 0.662134 0.965352 O\n0.192072 0.931495 0.319829 O\n0.806668 0.068458 0.680352 O\n0.255367 0.885431 0.040696 O\n0.744529 0.114547 0.959719 O\n0.335762 0.550511 0.284649 O\n0.664968 0.449442 0.716261 O\n0.097189 0.462941 0.406065 O\n0.902452 0.537335 0.594606 O\n0.609532 0.146407 0.148338 O\n0.392290 0.853031 0.851819 O\n0.977547 0.254679 0.255499 O\n0.021801 0.746388 0.745695 O\n0.845218 0.058702 0.285158 O\n0.154323 0.942180 0.715359 O\n0.482727 0.087970 0.309959 O\n0.516825 0.911838 0.690064 O\n0.151666 0.190271 0.414133 O\n0.848733 0.810128 0.586042 O\n0.335529 0.279663 0.277651 O\n0.664244 0.718737 0.720875 O\n0.502438 0.462496 0.488434 O\n","nsites":77,"nelements":5,"elements":["U","Cd","H","C","O"],"chemical_system":"C-Cd-H-O-U","density":5.8563640459473225,"density_atomic":0.0650285281776316,"volume":1184.0956908891922,"volume_molar":9.26076743356385,"formula_full":"U12 Cd4 H6 C4 O51","formula_reduced":"U12Cd4H6C4O51","formula_anonymous":"A4B4C6D12E51","energy":-628.48297561,"energy_per_atom":-8.162116566363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-593.44597561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.5139192,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.235000Z","spacegroup":1},{"id":"mp-1197667","created_at":"2022-09-04T14:45:59.367390Z","structure_string":"Ce8 Re12 Si20\n1.0\n11.015069 0.000000 0.000000\n0.000000 11.015069 0.000000\n0.000000 0.000000 5.632506\nCe Re Si\n8 12 20\ndirect\n0.574989 0.737449 0.500000 Ce\n0.425011 0.262551 0.500000 Ce\n0.074989 0.762551 0.000000 Ce\n0.925011 0.237449 0.000000 Ce\n0.262551 0.574989 0.500000 Ce\n0.737449 0.425011 0.500000 Ce\n0.237449 0.074989 0.000000 Ce\n0.762551 0.925011 0.000000 Ce\n0.876010 0.855578 0.500000 Re\n0.123990 0.144422 0.500000 Re\n0.376010 0.644422 0.000000 Re\n0.623990 0.355578 0.000000 Re\n0.144422 0.876010 0.500000 Re\n0.855578 0.123990 0.500000 Re\n0.355578 0.376010 0.000000 Re\n0.644422 0.623990 0.000000 Re\n0.500000 0.000000 0.250000 Re\n0.000000 0.500000 0.750000 Re\n0.000000 0.500000 0.250000 Re\n0.500000 0.000000 0.750000 Re\n0.673302 0.173302 0.250000 Si\n0.326698 0.826698 0.250000 Si\n0.173302 0.326698 0.750000 Si\n0.826698 0.673302 0.750000 Si\n0.826698 0.673302 0.250000 Si\n0.173302 0.326698 0.250000 Si\n0.673302 0.173302 0.750000 Si\n0.326698 0.826698 0.750000 Si\n0.500000 0.500000 0.249203 Si\n0.000000 0.000000 0.749203 Si\n0.500000 0.500000 0.750797 Si\n0.000000 0.000000 0.250797 Si\n0.683862 0.975225 0.500000 Si\n0.316138 0.024775 0.500000 Si\n0.183862 0.524775 0.000000 Si\n0.816138 0.475225 0.000000 Si\n0.024775 0.683862 0.500000 Si\n0.975225 0.316138 0.500000 Si\n0.475225 0.183862 0.000000 Si\n0.524775 0.816138 0.000000 Si\n","nsites":40,"nelements":3,"elements":["Ce","Re","Si"],"chemical_system":"Ce-Re-Si","density":9.517877008487988,"density_atomic":0.05853072240414288,"volume":683.4017821240619,"volume_molar":10.28885431896488,"formula_full":"Ce8 Re12 Si20","formula_reduced":"Ce2Re3Si5","formula_anonymous":"A2B3C5","energy":-328.21854104,"energy_per_atom":-8.205463525999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.63854104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0186135,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.838000Z","spacegroup":128}]}