{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=86","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=84","results":[{"id":"mp-1286964","created_at":"2022-09-04T14:39:08.016149Z","structure_string":"Li4 V6 O12\n1.0\n1.488666 -2.591762 -0.006208\n1.425527 -0.925187 -9.856608\n7.442902 2.589499 0.059702\nLi V O\n4 6 12\ndirect\n0.996379 0.997995 0.008572 Li\n0.992685 0.497359 0.518750 Li\n0.673937 0.002206 0.649195 Li\n0.670513 0.502095 0.158235 Li\n0.998326 0.259487 0.749438 V\n0.668266 0.240505 0.417318 V\n0.674383 0.735255 0.917206 V\n0.334114 0.749668 0.582050 V\n0.333083 0.250087 0.083388 V\n0.991829 0.765290 0.249448 V\n0.487480 0.645634 0.380749 O\n0.496385 0.142494 0.874745 O\n0.179899 0.853653 0.785438 O\n0.170337 0.357426 0.292005 O\n0.816556 0.143893 0.186997 O\n0.834905 0.642598 0.690931 O\n0.831959 0.857740 0.474707 O\n0.850040 0.356089 0.979734 O\n0.155708 0.138081 0.548078 O\n0.156507 0.637386 0.052746 O\n0.510906 0.362007 0.618746 O\n0.509135 0.863054 0.114856 O\n","nsites":22,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":3.8231251051134967,"density_atomic":0.09640448311550286,"volume":228.2051548748169,"volume_molar":6.246743476426126,"formula_full":"Li4 V6 O12","formula_reduced":"Li2V3O6","formula_anonymous":"A2B3C6","energy":-175.7042004,"energy_per_atom":-7.986554563636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.2602004,"band_gap":0.7047000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9966324,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.365000Z","spacegroup":2},{"id":"mp-4805","created_at":"2022-09-04T14:39:08.016723Z","structure_string":"Gd2 S1 O2\n1.0\n1.934352 -3.350396 0.000000\n1.934352 3.350396 0.000000\n0.000000 0.000000 6.695023\nGd S O\n2 1 2\ndirect\n0.333333 0.666667 0.718643 Gd\n0.666667 0.333333 0.281357 Gd\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.630227 O\n0.333333 0.666667 0.369773 O\n","nsites":5,"nelements":3,"elements":["Gd","S","O"],"chemical_system":"Gd-O-S","density":7.24393362894811,"density_atomic":0.0576177489563168,"volume":86.77881539229824,"volume_molar":10.451884825569493,"formula_full":"Gd2 S1 O2","formula_reduced":"Gd2SO2","formula_anonymous":"AB2C2","energy":-59.840525330000006,"energy_per_atom":-11.968105066000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.96352533,"band_gap":2.0164,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.146000Z","spacegroup":164},{"id":"mp-1232997","created_at":"2022-09-04T14:39:08.017062Z","structure_string":"Li1 Cu1 P4 Ru2 O14\n1.0\n4.943839 -0.039642 0.174932\n-2.070087 -6.494246 0.275745\n0.003182 0.136966 -8.440760\nLi Cu P Ru O\n1 1 4 2 14\ndirect\n0.462414 0.204311 0.828131 Li\n0.985251 0.004309 0.488072 Cu\n0.397793 0.755566 0.807833 P\n0.611769 0.249163 0.191542 P\n0.023611 0.657967 0.268518 P\n0.969935 0.346717 0.727999 P\n0.495543 0.503045 0.496420 Ru\n0.995414 0.999152 0.004032 Ru\n0.139887 0.832070 0.162824 O\n0.856267 0.175571 0.839140 O\n0.490605 0.755408 0.635911 O\n0.504763 0.248613 0.360377 O\n0.193221 0.526367 0.834957 O\n0.797813 0.479412 0.159393 O\n0.220775 0.907670 0.823736 O\n0.800871 0.106477 0.181461 O\n0.254950 0.570857 0.325101 O\n0.714592 0.414226 0.676789 O\n0.630679 0.778290 0.936965 O\n0.379934 0.215492 0.056406 O\n0.138359 0.280176 0.592378 O\n0.852220 0.720624 0.406704 O\n","nsites":22,"nelements":5,"elements":["Li","Cu","P","Ru","O"],"chemical_system":"Cu-Li-O-P-Ru","density":3.7956782503087183,"density_atomic":0.08104227735542661,"volume":271.4632500209087,"volume_molar":7.430863194513568,"formula_full":"Li1 Cu1 P4 Ru2 O14","formula_reduced":"LiCuP4(RuO7)2","formula_anonymous":"ABC2D4E14","energy":-162.07723895,"energy_per_atom":-7.367147225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.45923895,"band_gap":0.0648000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0039708,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.127000Z","spacegroup":1},{"id":"mp-13376","created_at":"2022-09-04T14:39:08.017429Z","structure_string":"Sm4 Zn4 Rh4\n1.0\n4.118619 0.000000 0.000000\n0.000000 7.053297 0.000000\n0.000000 0.000000 8.217947\nSm Zn Rh\n4 4 4\ndirect\n0.250000 0.537592 0.186364 Sm\n0.750000 0.462408 0.813636 Sm\n0.250000 0.037592 0.313636 Sm\n0.750000 0.962408 0.686364 Sm\n0.250000 0.138121 0.935952 Zn\n0.750000 0.861879 0.064048 Zn\n0.250000 0.638121 0.564048 Zn\n0.750000 0.361879 0.435952 Zn\n0.750000 0.742022 0.379402 Rh\n0.250000 0.257978 0.620598 Rh\n0.750000 0.242022 0.120598 Rh\n0.250000 0.757978 0.879402 Rh\n","nsites":12,"nelements":3,"elements":["Sm","Zn","Rh"],"chemical_system":"Rh-Sm-Zn","density":8.866439922122693,"density_atomic":0.050265976037830236,"volume":238.7300704350948,"volume_molar":11.980550731707128,"formula_full":"Sm4 Zn4 Rh4","formula_reduced":"SmZnRh","formula_anonymous":"ABC","energy":-61.58402399,"energy_per_atom":-5.1320019991666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.58402399,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001808,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.770000Z","spacegroup":62},{"id":"mp-1262781","created_at":"2022-09-04T14:39:08.017534Z","structure_string":"Zn6 Fe4 Si8 O28\n1.0\n3.902670 8.239095 0.000000\n-3.902670 8.239095 0.000000\n0.000000 5.314108 8.346359\nZn Fe Si O\n6 4 8 28\ndirect\n0.058099 0.280490 0.097601 Zn\n0.719510 0.941901 0.402399 Zn\n0.280490 0.058099 0.597601 Zn\n0.394480 0.605520 0.750000 Zn\n0.941901 0.719510 0.902399 Zn\n0.605520 0.394480 0.250000 Zn\n0.794338 0.205662 0.750000 Fe\n0.205662 0.794338 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.530873 0.100977 0.709427 Si\n0.100977 0.530873 0.209427 Si\n0.518489 0.241829 0.102647 Si\n0.241829 0.518489 0.602647 Si\n0.899023 0.469127 0.790573 Si\n0.481511 0.758171 0.897353 Si\n0.758171 0.481511 0.397353 Si\n0.469127 0.899023 0.290573 Si\n0.834015 0.300284 0.330200 O\n0.956945 0.882607 0.416589 O\n0.458650 0.639394 0.087112 O\n0.882607 0.956945 0.916589 O\n0.251692 0.944106 0.323017 O\n0.059115 0.505487 0.625805 O\n0.639394 0.458650 0.587112 O\n0.055894 0.748308 0.176983 O\n0.940885 0.494513 0.374195 O\n0.633775 0.675821 0.266964 O\n0.043055 0.117393 0.583411 O\n0.748308 0.055894 0.676983 O\n0.494513 0.940885 0.874195 O\n0.300284 0.834015 0.830200 O\n0.675821 0.633775 0.766964 O\n0.944106 0.251692 0.823017 O\n0.903631 0.506460 0.933888 O\n0.366225 0.324179 0.733036 O\n0.493540 0.096369 0.566112 O\n0.324179 0.366225 0.233036 O\n0.505487 0.059115 0.125805 O\n0.117393 0.043055 0.083411 O\n0.506460 0.903631 0.433888 O\n0.541350 0.360606 0.912888 O\n0.096369 0.493540 0.066112 O\n0.360606 0.541350 0.412888 O\n0.699716 0.165985 0.169800 O\n0.165985 0.699716 0.669800 O\n","nsites":46,"nelements":4,"elements":["Zn","Fe","Si","O"],"chemical_system":"Fe-O-Si-Zn","density":3.9862591370561966,"density_atomic":0.08570169956568797,"volume":536.7454815145443,"volume_molar":7.0268626999447035,"formula_full":"Zn6 Fe4 Si8 O28","formula_reduced":"Zn3Fe2(Si2O7)2","formula_anonymous":"A2B3C4D14","energy":-336.18016845,"energy_per_atom":-7.308264531521739,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.92016845,"band_gap":2.0757,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0022644,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.235000Z","spacegroup":15},{"id":"mp-633403","created_at":"2022-09-04T14:39:08.035930Z","structure_string":"Cu6 As8\n1.0\n-1.767689 4.261728 9.347491\n1.767689 -4.261728 9.347491\n1.767689 4.261728 -9.347491\nCu As\n6 8\ndirect\n0.272058 0.431265 0.840792 Cu\n0.727942 0.568735 0.159208 Cu\n0.409527 0.568735 0.840792 Cu\n0.590473 0.431265 0.159208 Cu\n0.318944 0.318944 0.000000 Cu\n0.681056 0.681056 0.000000 Cu\n0.132102 0.838575 0.293528 As\n0.867898 0.161425 0.706472 As\n0.454953 0.161425 0.293528 As\n0.545047 0.838575 0.706472 As\n0.212957 0.000000 0.212957 As\n0.787043 0.000000 0.787043 As\n0.228410 0.728410 0.500000 As\n0.771590 0.271590 0.500000 As\n","nsites":14,"nelements":2,"elements":["Cu","As"],"chemical_system":"As-Cu","density":5.781172982420961,"density_atomic":0.04970286249074196,"volume":281.67391772672545,"volume_molar":12.116285578364282,"formula_full":"Cu6 As8","formula_reduced":"Cu3As4","formula_anonymous":"A3B4","energy":-58.86132477,"energy_per_atom":-4.204380340714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.86132477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.17e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.392000Z","spacegroup":71},{"id":"mp-1183637","created_at":"2022-09-04T14:39:08.049860Z","structure_string":"Ca1 Eu1 Mg2\n1.0\n0.000000 4.135779 4.135779\n4.135779 0.000000 4.135779\n4.135779 4.135779 0.000000\nCa Eu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":4,"nelements":3,"elements":["Ca","Eu","Mg"],"chemical_system":"Ca-Eu-Mg","density":2.8244676574999086,"density_atomic":0.02827209715507868,"volume":141.4822529103207,"volume_molar":21.300651051696775,"formula_full":"Ca1 Eu1 Mg2","formula_reduced":"CaEuMg2","formula_anonymous":"ABC2","energy":-15.70203779,"energy_per_atom":-3.9255094475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.70203779,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.469881,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.870000Z","spacegroup":225},{"id":"mp-1226621","created_at":"2022-09-04T14:39:08.052447Z","structure_string":"Ce1 Ga3 Ag1\n1.0\n4.345808 0.000000 0.000000\n0.000000 4.345808 0.000000\n2.172904 2.172904 5.412284\nCe Ga Ag\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.386717 0.386717 0.226566 Ga\n0.613283 0.613283 0.773434 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ag\n","nsites":5,"nelements":3,"elements":["Ce","Ga","Ag"],"chemical_system":"Ag-Ce-Ga","density":7.4265859922327655,"density_atomic":0.0489157094677732,"volume":102.21665093693706,"volume_molar":12.311261199160416,"formula_full":"Ce1 Ga3 Ag1","formula_reduced":"CeGa3Ag","formula_anonymous":"ABC3","energy":-19.96081908,"energy_per_atom":-3.992163816,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.96081908,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7223629,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.319000Z","spacegroup":119},{"id":"mp-1078329","created_at":"2022-09-04T14:39:08.053554Z","structure_string":"Zn2 Pb2 O6\n1.0\n5.127300 -2.758393 0.000000\n5.127300 2.758393 0.000000\n3.643335 0.000000 4.541371\nZn Pb O\n2 2 6\ndirect\n0.500040 0.500040 0.500040 Zn\n0.000040 0.000040 0.000040 Zn\n0.782235 0.782235 0.782235 Pb\n0.282235 0.282235 0.282235 Pb\n0.596627 0.873917 0.196442 O\n0.196442 0.596627 0.873917 O\n0.873917 0.196442 0.596627 O\n0.696442 0.373917 0.096627 O\n0.096627 0.696442 0.373917 O\n0.373917 0.096627 0.696442 O\n","nsites":10,"nelements":3,"elements":["Zn","Pb","O"],"chemical_system":"O-Pb-Zn","density":8.288778142141021,"density_atomic":0.07784633145736354,"volume":128.45820493772405,"volume_molar":7.735933919119012,"formula_full":"Zn2 Pb2 O6","formula_reduced":"ZnPbO3","formula_anonymous":"ABC3","energy":-54.36847346,"energy_per_atom":-5.4368473459999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.24647346,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.318000Z","spacegroup":161},{"id":"mp-1093890","created_at":"2022-09-04T14:39:08.056701Z","structure_string":"Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Tl","Cd"],"chemical_system":"Cd-Li-Tl","density":0.484584127087973,"density_atomic":0.0035300187215037567,"volume":1133.1384662730727,"volume_molar":170.59798361167392,"formula_full":"Li2 Tl1 Cd1","formula_reduced":"Li2TlCd","formula_anonymous":"ABC2","energy":-3.67880785,"energy_per_atom":-0.9197019625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.67880785,"band_gap":0.0275000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0002229,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.208000Z","spacegroup":71},{"id":"mp-774384","created_at":"2022-09-04T14:39:08.057094Z","structure_string":"Fe10 O11 F9\n1.0\n15.309477 0.000000 0.000000\n0.000000 4.775961 0.000000\n0.000000 0.440926 4.755753\nFe O F\n10 11 9\ndirect\n0.307231 0.985237 0.994269 Fe\n0.102241 0.998553 0.000163 Fe\n0.897759 0.998553 0.000163 Fe\n0.692769 0.985237 0.994269 Fe\n0.500000 0.006790 0.954259 Fe\n0.199978 0.493348 0.495203 Fe\n0.800022 0.493348 0.495203 Fe\n0.000000 0.498649 0.501125 Fe\n0.605281 0.522062 0.540679 Fe\n0.394719 0.522062 0.540679 Fe\n0.599575 0.814156 0.806617 O\n0.400425 0.814156 0.806617 O\n0.295204 0.299858 0.702781 O\n0.099854 0.298124 0.696893 O\n0.900146 0.298124 0.696893 O\n0.704796 0.299858 0.702781 O\n0.500000 0.323646 0.683715 O\n0.297611 0.694830 0.306236 O\n0.099974 0.695623 0.301108 O\n0.900026 0.695623 0.301108 O\n0.702389 0.694830 0.306236 O\n0.199785 0.802859 0.809708 F\n0.000000 0.806696 0.809568 F\n0.800215 0.802859 0.809708 F\n0.500000 0.708379 0.296301 F\n0.200876 0.187236 0.191650 F\n0.799124 0.187236 0.191650 F\n0.000000 0.189031 0.190006 F\n0.402313 0.191516 0.187207 F\n0.597687 0.191516 0.187207 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.3237750861319,"density_atomic":0.08627417952385094,"volume":347.72860391800475,"volume_molar":6.980235330241706,"formula_full":"Fe10 O11 F9","formula_reduced":"Fe10O11F9","formula_anonymous":"A9B10C11","energy":-214.78028461,"energy_per_atom":-7.159342820333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.50528461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":49.0004439,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.372000Z","spacegroup":6},{"id":"mp-29560","created_at":"2022-09-04T14:39:08.058588Z","structure_string":"La12 Si14 Br6\n1.0\n4.148780 0.000000 0.000000\n0.000000 11.887188 0.000000\n0.000000 0.000000 16.924627\nLa Si Br\n12 14 6\ndirect\n0.500000 0.342402 0.500000 La\n0.000000 0.657598 0.000000 La\n0.500000 0.357567 0.755833 La\n0.000000 0.642433 0.744167 La\n0.500000 0.357567 0.244167 La\n0.000000 0.642433 0.255833 La\n0.500000 0.064714 0.880196 La\n0.000000 0.935286 0.619804 La\n0.500000 0.064714 0.119804 La\n0.000000 0.935286 0.380196 La\n0.500000 0.357718 0.000000 La\n0.000000 0.642282 0.500000 La\n0.000000 0.152968 0.000000 Si\n0.500000 0.847032 0.500000 Si\n0.500000 0.566362 0.876644 Si\n0.000000 0.433638 0.623356 Si\n0.500000 0.566362 0.123356 Si\n0.000000 0.433638 0.376644 Si\n0.000000 0.254480 0.875530 Si\n0.500000 0.745520 0.624470 Si\n0.000000 0.254480 0.124470 Si\n0.500000 0.745520 0.375530 Si\n0.000000 0.458492 0.876315 Si\n0.500000 0.541508 0.623685 Si\n0.500000 0.541508 0.376315 Si\n0.000000 0.458492 0.123685 Si\n0.500000 0.108377 0.692134 Br\n0.000000 0.891623 0.807866 Br\n0.000000 0.137861 0.500000 Br\n0.500000 0.862139 0.000000 Br\n0.500000 0.108377 0.307866 Br\n0.000000 0.891623 0.192134 Br\n","nsites":32,"nelements":3,"elements":["La","Si","Br"],"chemical_system":"Br-La-Si","density":5.05215174762815,"density_atomic":0.038338166142884204,"volume":834.6773781703013,"volume_molar":15.707952064154082,"formula_full":"La12 Si14 Br6","formula_reduced":"La6Si7Br3","formula_anonymous":"A3B6C7","energy":-181.99123372,"energy_per_atom":-5.68722605375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.78123372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002272,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.333000Z","spacegroup":59}]}