{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10236","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10234","results":[{"id":"mp-1372695","created_at":"2022-09-04T14:40:37.216975Z","structure_string":"Y7 Cu3 Te12\n1.0\n7.535341 0.000000 0.000000\n3.768252 6.540629 0.000000\n2.559204 0.057598 14.074611\nY Cu Te\n7 3 12\ndirect\n0.577580 0.995419 0.254090 Y\n0.332673 0.667173 0.002015 Y\n0.088451 0.333270 0.748165 Y\n0.247449 0.338158 0.253928 Y\n0.748774 0.670325 0.748102 Y\n0.920242 0.665487 0.253905 Y\n0.415314 0.997527 0.747853 Y\n0.858877 0.334722 0.427860 Cu\n0.810555 0.998742 0.569153 Cu\n0.475523 0.333655 0.569399 Cu\n0.127459 0.997586 0.617867 Te\n0.292507 0.000527 0.124979 Te\n0.798399 0.338197 0.619450 Te\n0.957813 0.332990 0.125271 Te\n0.458877 0.667189 0.617238 Te\n0.625413 0.667259 0.124960 Te\n0.376142 0.333489 0.874127 Te\n0.536262 0.332439 0.380218 Te\n0.040976 0.665090 0.874419 Te\n0.207294 0.667426 0.380608 Te\n0.707937 0.000387 0.874191 Te\n0.872850 0.996277 0.380105 Te\n","nsites":22,"nelements":3,"elements":["Y","Cu","Te"],"chemical_system":"Cu-Te-Y","density":5.611526688365727,"density_atomic":0.031714937094085474,"volume":693.6794462096784,"volume_molar":18.988342124516056,"formula_full":"Y7 Cu3 Te12","formula_reduced":"Y7(CuTe4)3","formula_anonymous":"A3B7C12","energy":-80.52633947999999,"energy_per_atom":-3.660288158181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.46233948,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010089,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.315000Z","spacegroup":1},{"id":"mp-1175139","created_at":"2022-09-04T14:40:37.217382Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n1.469061 -2.544488 0.000000\n1.469061 2.544488 0.000000\n0.000000 0.000000 29.249889\nLi Mn Co O\n7 2 3 12\ndirect\n0.666667 0.333333 0.080161 Li\n0.000000 0.000000 0.255323 Li\n0.333333 0.666667 0.419723 Li\n0.666667 0.333333 0.580277 Li\n0.000000 0.000000 0.744677 Li\n0.333333 0.666667 0.919839 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.833377 Mn\n0.333333 0.666667 0.166623 Mn\n0.000000 0.000000 0.000000 Co\n0.666667 0.333333 0.333920 Co\n0.333333 0.666667 0.666080 Co\n0.666667 0.333333 0.204029 O\n0.000000 0.000000 0.369832 O\n0.333333 0.666667 0.542534 O\n0.666667 0.333333 0.705678 O\n0.000000 0.000000 0.872204 O\n0.333333 0.666667 0.034200 O\n0.666667 0.333333 0.965800 O\n0.000000 0.000000 0.127796 O\n0.333333 0.666667 0.294322 O\n0.666667 0.333333 0.457466 O\n0.000000 0.000000 0.630168 O\n0.333333 0.666667 0.795971 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.003831030647119,"density_atomic":0.10975309783165117,"volume":218.67264317963293,"volume_molar":5.486989323287514,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-154.28591896,"energy_per_atom":-6.428579956666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.79191896,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.5826583,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.036000Z","spacegroup":164},{"id":"mp-1009238","created_at":"2022-09-04T14:40:37.634090Z","structure_string":"Hf2 Tl1\n1.0\n-1.769512 1.769512 5.418430\n1.769512 -1.769512 5.418430\n1.769512 1.769512 -5.418430\nHf Tl\n2 1\ndirect\n0.833112 0.833112 0.000000 Hf\n0.166888 0.166888 0.000000 Hf\n0.500000 0.500000 0.000000 Tl\n","nsites":3,"nelements":2,"elements":["Hf","Tl"],"chemical_system":"Hf-Tl","density":13.735758015746041,"density_atomic":0.04420595445660952,"volume":67.86416076469197,"volume_molar":13.622917622808144,"formula_full":"Hf2 Tl1","formula_reduced":"Hf2Tl","formula_anonymous":"AB2","energy":-22.18570575,"energy_per_atom":-7.39523525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.18570575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002151,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.018000Z","spacegroup":139},{"id":"mp-937870","created_at":"2022-09-04T14:40:37.237246Z","structure_string":"Yb8 Bi8 O24\n1.0\n8.576337 0.000000 0.000000\n-1.893134 8.302432 0.000000\n-0.780574 -4.199331 8.928288\nYb Bi O\n8 8 24\ndirect\n0.066881 0.260737 0.302912 Yb\n0.158252 0.885354 0.861525 Yb\n0.345383 0.275609 0.564011 Yb\n0.578609 0.297525 0.795888 Yb\n0.445806 0.731896 0.206668 Yb\n0.711811 0.781714 0.436516 Yb\n0.770773 0.231985 0.060229 Yb\n0.932916 0.712177 0.718276 Yb\n0.144912 0.548746 0.627391 Bi\n0.989890 0.972550 0.023047 Bi\n0.252254 0.061707 0.220698 Bi\n0.363459 0.492223 0.876632 Bi\n0.656937 0.510522 0.127139 Bi\n0.518455 0.033214 0.481742 Bi\n0.758372 0.990292 0.761042 Bi\n0.862014 0.493718 0.382485 Bi\n0.166628 0.747504 0.077530 O\n0.164433 0.899370 0.392213 O\n0.120973 0.349657 0.836446 O\n0.207923 0.858808 0.740839 O\n0.306174 0.280145 0.704013 O\n0.335756 0.264089 0.412182 O\n0.357662 0.723148 0.328778 O\n0.494004 0.094194 0.315455 O\n0.380609 0.664366 0.674613 O\n0.601847 0.314390 0.630439 O\n0.675856 0.720509 0.603032 O\n0.519284 0.161974 0.984687 O\n0.592045 0.656151 0.892856 O\n0.783929 0.937848 0.922182 O\n0.627517 0.429045 0.301969 O\n0.708298 0.778899 0.292018 O\n0.808660 0.220266 0.218914 O\n0.895197 0.563289 0.215217 O\n0.724620 0.061619 0.592273 O\n0.969212 0.273460 0.662133 O\n0.977949 0.831712 0.530302 O\n0.831163 0.285765 0.905427 O\n0.926744 0.677813 0.886639 O\n0.016892 0.925811 0.183744 O\n","nsites":40,"nelements":3,"elements":["Yb","Bi","O"],"chemical_system":"Bi-O-Yb","density":8.985680434642617,"density_atomic":0.06291940909125342,"volume":635.7338789051104,"volume_molar":9.571197261668424,"formula_full":"Yb8 Bi8 O24","formula_reduced":"YbBiO3","formula_anonymous":"ABC3","energy":-116.41385312,"energy_per_atom":-2.910346328,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.92585312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8742687,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.726000Z","spacegroup":1},{"id":"mp-569289","created_at":"2022-09-04T14:40:37.238752Z","structure_string":"Hg1\n1.0\n-2.069695 2.069695 1.802258\n2.069695 -2.069695 1.802258\n2.069695 2.069695 -1.802258\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.7862062769837,"density_atomic":0.03238249787568613,"volume":30.880879042713797,"volume_molar":18.596900038775654,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.2961163,"energy_per_atom":-0.2961163,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.2961163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.248000Z","spacegroup":139},{"id":"mp-755797","created_at":"2022-09-04T14:40:37.245347Z","structure_string":"Li1 Ti8 O13\n1.0\n5.187747 -3.895142 0.000000\n5.187747 3.895142 0.000000\n2.263138 0.000000 6.079725\nLi Ti O\n1 8 13\ndirect\n0.500000 0.500000 0.500000 Li\n0.875447 0.050215 0.317274 Ti\n0.682726 0.124553 0.949785 Ti\n0.949785 0.682726 0.124553 Ti\n0.727882 0.727882 0.727882 Ti\n0.272118 0.272118 0.272118 Ti\n0.050215 0.317274 0.875447 Ti\n0.317274 0.875447 0.050215 Ti\n0.124553 0.949785 0.682726 Ti\n0.793850 0.047007 0.643422 O\n0.952993 0.356578 0.206150 O\n0.579621 0.180268 0.264904 O\n0.735096 0.420379 0.819732 O\n0.356578 0.206150 0.952993 O\n0.819732 0.735096 0.420379 O\n0.000000 0.000000 0.000000 O\n0.180268 0.264904 0.579621 O\n0.643422 0.793850 0.047007 O\n0.264904 0.579621 0.180268 O\n0.420379 0.819732 0.735096 O\n0.047007 0.643422 0.793850 O\n0.206150 0.952993 0.356578 O\n","nsites":22,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":4.040538639559162,"density_atomic":0.08953785104253018,"volume":245.70614264072603,"volume_molar":6.725804438995865,"formula_full":"Li1 Ti8 O13","formula_reduced":"LiTi8O13","formula_anonymous":"AB8C13","energy":-200.35607759,"energy_per_atom":-9.107094435909092,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.42507759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9302076,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.315000Z","spacegroup":148},{"id":"mp-2841","created_at":"2022-09-04T14:40:37.246758Z","structure_string":"Sc1 Si2\n1.0\n2.019371 -3.497654 0.000000\n2.019371 3.497654 0.000000\n0.000000 0.000000 3.596132\nSc Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n","nsites":3,"nelements":2,"elements":["Sc","Si"],"chemical_system":"Sc-Si","density":3.305652996948565,"density_atomic":0.05905581589859951,"volume":50.799399760238416,"volume_molar":10.197371195988866,"formula_full":"Sc1 Si2","formula_reduced":"ScSi2","formula_anonymous":"AB2","energy":-18.15134258,"energy_per_atom":-6.050447526666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.29334258,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046052,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.795000Z","spacegroup":191},{"id":"mp-973767","created_at":"2022-09-04T14:40:37.248748Z","structure_string":"Pm1 Bi3\n1.0\n-2.361499 2.361499 5.565144\n2.361499 -2.361499 5.565144\n2.361499 2.361499 -5.565144\nPm Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n","nsites":4,"nelements":2,"elements":["Pm","Bi"],"chemical_system":"Bi-Pm","density":10.325744828273118,"density_atomic":0.0322216711994084,"volume":124.14005391729779,"volume_molar":18.689721966098915,"formula_full":"Pm1 Bi3","formula_reduced":"PmBi3","formula_anonymous":"AB3","energy":-18.10963935,"energy_per_atom":-4.5274098375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.10963935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.528000Z","spacegroup":139},{"id":"mp-1078499","created_at":"2022-09-04T14:40:37.253105Z","structure_string":"Er3 Co2 Ge4\n1.0\n2.086943 5.280205 0.000000\n-2.086943 5.280205 0.000000\n0.000000 2.418346 7.615283\nEr Co Ge\n3 2 4\ndirect\n0.376439 0.376439 0.692591 Er\n0.623561 0.623561 0.307409 Er\n0.000000 0.000000 0.000000 Er\n0.310008 0.310008 0.370338 Co\n0.689992 0.689992 0.629662 Co\n0.097266 0.097266 0.599698 Ge\n0.902734 0.902734 0.400302 Ge\n0.709524 0.709524 0.920271 Ge\n0.290476 0.290476 0.079729 Ge\n","nsites":9,"nelements":3,"elements":["Er","Co","Ge"],"chemical_system":"Co-Er-Ge","density":9.005547716505518,"density_atomic":0.053624727094887026,"volume":167.83302195785208,"volume_molar":11.230156471181733,"formula_full":"Er3 Co2 Ge4","formula_reduced":"Er3(CoGe2)2","formula_anonymous":"A2B3C4","energy":-52.83765697,"energy_per_atom":-5.8708507744444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.83765697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.008181,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.938000Z","spacegroup":12},{"id":"mp-1233578","created_at":"2022-09-04T14:40:37.261931Z","structure_string":"K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.325244 0.034063 -0.749186\n3.229522 -8.441135 -1.686514\n-0.742201 0.324190 10.262490\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.540241 0.687406 0.743033 K\n0.436626 0.298373 0.269554 K\n0.028263 0.551712 0.484050 Mg\n0.193002 0.631566 0.206844 Zn\n0.789999 0.369285 0.785645 Zn\n0.692138 0.912223 0.124770 Zn\n0.295551 0.091543 0.877320 Zn\n0.102926 0.759352 0.959684 P\n0.880915 0.242762 0.044585 P\n0.787685 0.774189 0.369527 P\n0.189080 0.223918 0.636024 P\n0.928081 0.919944 0.586025 H\n0.063545 0.086087 0.420814 H\n0.951974 0.412577 0.139684 O\n0.035095 0.587473 0.871309 O\n0.292472 0.783489 0.095264 O\n0.693199 0.224840 0.911948 O\n0.715883 0.125609 0.120075 O\n0.267169 0.876020 0.884490 O\n0.847715 0.791581 0.993762 O\n0.134862 0.208724 0.010623 O\n0.529468 0.634242 0.299986 O\n0.440963 0.366610 0.710277 O\n0.833108 0.920473 0.311993 O\n0.165289 0.072707 0.686763 O\n0.029352 0.716307 0.363456 O\n0.934323 0.261983 0.642387 O\n0.767077 0.827182 0.526465 O\n0.221499 0.177542 0.479203 O\n","nsites":29,"nelements":6,"elements":["K","Mg","Zn","P","H","O"],"chemical_system":"H-K-Mg-O-P-Zn","density":2.6859684728245266,"density_atomic":0.0628764946364809,"volume":461.2216404184565,"volume_molar":9.577729793648452,"formula_full":"K2 Mg1 Zn4 P4 H2 O16","formula_reduced":"K2MgZn4P4(HO8)2","formula_anonymous":"AB2C2D4E4F16","energy":-180.74111163,"energy_per_atom":-6.232452125172414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.74911163,"band_gap":1.0185,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.135000Z","spacegroup":1},{"id":"mp-1189114","created_at":"2022-09-04T14:40:37.274103Z","structure_string":"Sr4 Sc2 Fe2 P2 O6\n1.0\n4.081757 0.000000 0.000000\n0.000000 4.081757 0.000000\n0.000000 0.000000 16.068628\nSr Sc Fe P O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.808097 Sr\n0.000000 0.500000 0.191903 Sr\n0.500000 0.000000 0.585116 Sr\n0.000000 0.500000 0.414884 Sr\n0.000000 0.500000 0.691790 Sc\n0.500000 0.000000 0.308210 Sc\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.907602 P\n0.500000 0.000000 0.092398 P\n0.500000 0.500000 0.712630 O\n0.000000 0.000000 0.712630 O\n0.000000 0.000000 0.287370 O\n0.500000 0.500000 0.287370 O\n0.000000 0.500000 0.566624 O\n0.500000 0.000000 0.433376 O\n","nsites":16,"nelements":5,"elements":["Sr","Sc","Fe","P","O"],"chemical_system":"Fe-O-P-Sc-Sr","density":4.4040283543666705,"density_atomic":0.0597649958354864,"volume":267.7152365917133,"volume_molar":10.0763677397,"formula_full":"Sr4 Sc2 Fe2 P2 O6","formula_reduced":"Sr2ScFePO3","formula_anonymous":"ABCD2E3","energy":-116.52565238,"energy_per_atom":-7.28285327375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.89165238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9089551,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.945000Z","spacegroup":129},{"id":"mp-1224809","created_at":"2022-09-04T14:40:37.307512Z","structure_string":"Ga2 Se3\n1.0\n-1.951902 2.893512 5.916711\n1.951902 -2.893512 5.916711\n1.951902 2.893512 -5.916711\nGa Se\n2 3\ndirect\n0.330091 0.338863 0.991228 Ga\n0.652365 0.661137 0.991228 Ga\n0.596533 0.837298 0.759236 Se\n0.921938 0.162702 0.759236 Se\n0.249074 0.500000 0.749074 Se\n","nsites":5,"nelements":2,"elements":["Ga","Se"],"chemical_system":"Ga-Se","density":4.675086780412111,"density_atomic":0.037406438389303916,"volume":133.6668289015645,"volume_molar":16.09920917176115,"formula_full":"Ga2 Se3","formula_reduced":"Ga2Se3","formula_anonymous":"A2B3","energy":-20.83150652,"energy_per_atom":-4.166301304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.41550652,"band_gap":0.5122999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004925,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.925000Z","spacegroup":44}]}