{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10181","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10179","results":[{"id":"mp-1190203","created_at":"2022-09-04T14:40:41.006162Z","structure_string":"Lu2 Cu1 Te2 S2 O14\n1.0\n5.359811 0.000000 0.000000\n-0.968218 8.107488 0.000000\n-2.297369 -3.758942 6.946631\nLu Cu Te S O\n2 1 2 2 14\ndirect\n0.170719 0.233528 0.529513 Lu\n0.829281 0.766472 0.470487 Lu\n0.500000 0.500000 0.000000 Cu\n0.127007 0.764521 0.145138 Te\n0.872993 0.235479 0.854862 Te\n0.587210 0.273488 0.271381 S\n0.412790 0.726512 0.728619 S\n0.383900 0.181755 0.322291 O\n0.616100 0.818245 0.677709 O\n0.298660 0.525201 0.582973 O\n0.701340 0.474799 0.417027 O\n0.812410 0.181629 0.280144 O\n0.187590 0.818371 0.719856 O\n0.458447 0.249725 0.077165 O\n0.541553 0.750275 0.922835 O\n0.886084 0.574231 0.153125 O\n0.113916 0.425769 0.846875 O\n0.446981 0.694914 0.230925 O\n0.553019 0.305086 0.769075 O\n0.125816 0.924691 0.392434 O\n0.874184 0.075309 0.607566 O\n","nsites":21,"nelements":5,"elements":["Lu","Cu","Te","S","O"],"chemical_system":"Cu-Lu-O-S-Te","density":5.2633344818090215,"density_atomic":0.06956796097276112,"volume":301.86309482640166,"volume_molar":8.656485939494374,"formula_full":"Lu2 Cu1 Te2 S2 O14","formula_reduced":"Lu2CuTe2(SO7)2","formula_anonymous":"AB2C2D2E14","energy":-145.27728031,"energy_per_atom":-6.917965729047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.65928031,"band_gap":0.6058000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9988168,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.734000Z","spacegroup":2},{"id":"mp-1235672","created_at":"2022-09-04T14:40:41.012067Z","structure_string":"Ba1 Li1 V2 Ni3 H2 O10\n1.0\n-0.040170 -6.028034 -0.003536\n4.709212 -2.983936 -2.213226\n4.811295 -2.979475 5.511333\nBa Li V Ni H O\n1 1 2 3 2 10\ndirect\n0.096479 0.469801 0.492279 Ba\n0.523839 0.793990 0.641625 Li\n0.587274 0.106587 0.745056 V\n0.429780 0.910217 0.244471 V\n0.007470 0.020699 0.991269 Ni\n0.002622 0.505447 0.004159 Ni\n0.518494 0.500761 0.993928 Ni\n0.195672 0.765120 0.729404 H\n0.735939 0.223452 0.282347 H\n0.229171 0.246007 0.832565 O\n0.740443 0.261011 0.799277 O\n0.772294 0.779739 0.178310 O\n0.298137 0.778727 0.161554 O\n0.729824 0.734023 0.822550 O\n0.296656 0.262594 0.173615 O\n0.330932 0.804112 0.489228 O\n0.590266 0.133657 0.510251 O\n0.211401 0.733685 0.858473 O\n0.797056 0.282873 0.141306 O\n","nsites":19,"nelements":6,"elements":["Ba","Li","V","Ni","H","O"],"chemical_system":"Ba-H-Li-Ni-O-V","density":4.378636485703541,"density_atomic":0.08575339139023358,"volume":221.56558116212187,"volume_molar":7.02262693331317,"formula_full":"Ba1 Li1 V2 Ni3 H2 O10","formula_reduced":"BaLiV2Ni3(HO5)2","formula_anonymous":"ABC2D2E3F10","energy":-130.69771939,"energy_per_atom":-6.87882733631579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.80471939,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0457946,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.379000Z","spacegroup":1},{"id":"mp-1304778","created_at":"2022-09-04T14:40:41.040379Z","structure_string":"Na2 Fe4 Si8 O24\n1.0\n-1.660631 0.000021 5.093050\n0.000063 8.806458 0.000057\n-8.086120 -0.000093 -5.015225\nNa Fe Si O\n2 4 8 24\ndirect\n0.749987 0.704340 0.000008 Na\n0.249987 0.203458 0.499992 Na\n0.250005 0.905610 0.999994 Fe\n0.749995 0.400877 0.500009 Fe\n0.249963 0.599452 0.500027 Fe\n0.750026 0.105172 0.999998 Fe\n0.946201 0.413837 0.207973 Si\n0.442063 0.908861 0.702260 Si\n0.553799 0.413839 0.792025 Si\n0.057930 0.908861 0.297738 Si\n0.435899 0.590100 0.207925 Si\n0.939968 0.085569 0.705921 Si\n0.064124 0.590085 0.792078 Si\n0.560033 0.085564 0.294081 Si\n0.032094 0.425519 0.387797 O\n0.521802 0.917699 0.881796 O\n0.467888 0.425520 0.612206 O\n0.978205 0.917708 0.118198 O\n0.507651 0.576400 0.388004 O\n0.017446 0.072429 0.884503 O\n0.992346 0.576397 0.612005 O\n0.482565 0.072414 0.115494 O\n0.928777 0.242227 0.148573 O\n0.431193 0.734601 0.643265 O\n0.571224 0.242212 0.851415 O\n0.068845 0.734600 0.356744 O\n0.668134 0.501097 0.154135 O\n0.166630 0.997539 0.645544 O\n0.831856 0.501094 0.845857 O\n0.333362 0.997547 0.354455 O\n0.438422 0.757750 0.138895 O\n0.933521 0.255875 0.639397 O\n0.061584 0.757755 0.861099 O\n0.566470 0.255871 0.360597 O\n0.157009 0.509110 0.142941 O\n0.660295 0.003836 0.643364 O\n0.342997 0.509097 0.857056 O\n0.839700 0.003838 0.356632 O\n","nsites":38,"nelements":4,"elements":["Na","Fe","Si","O"],"chemical_system":"Fe-Na-O-Si","density":3.34388319695594,"density_atomic":0.08715186181725063,"volume":436.0205187547511,"volume_molar":6.909939311024554,"formula_full":"Na2 Fe4 Si8 O24","formula_reduced":"NaFe2(SiO3)4","formula_anonymous":"AB2C4D12","energy":-298.3245551,"energy_per_atom":-7.850646186842106,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.8125551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0480365,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.378000Z","spacegroup":3},{"id":"mp-30494","created_at":"2022-09-04T14:40:41.060213Z","structure_string":"Sc2 Cd6\n1.0\n3.199589 -5.541850 0.000000\n3.199589 5.541850 0.000000\n0.000000 0.000000 4.911422\nSc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Sc\n0.666667 0.333333 0.750000 Sc\n0.833034 0.666068 0.250000 Cd\n0.166966 0.833034 0.750000 Cd\n0.666068 0.833034 0.750000 Cd\n0.333932 0.166966 0.250000 Cd\n0.833034 0.166966 0.250000 Cd\n0.166966 0.333932 0.750000 Cd\n","nsites":8,"nelements":2,"elements":["Sc","Cd"],"chemical_system":"Cd-Sc","density":7.287372471950394,"density_atomic":0.04593077552370262,"volume":174.17515617326322,"volume_molar":13.111341342129675,"formula_full":"Sc2 Cd6","formula_reduced":"ScCd3","formula_anonymous":"AB3","energy":-19.91749514,"energy_per_atom":-2.4896868925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.91749514,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029148,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.172000Z","spacegroup":194},{"id":"mp-4649","created_at":"2022-09-04T14:40:41.211180Z","structure_string":"Pd2 Se4 O10\n1.0\n2.949181 6.343208 0.000000\n-2.949181 6.343208 0.000000\n0.000000 2.178484 7.165400\nPd Se O\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.522086 0.746220 0.684637 Se\n0.253780 0.477914 0.815363 Se\n0.746220 0.522086 0.184637 Se\n0.477914 0.253780 0.315363 Se\n0.907666 0.342469 0.372727 O\n0.657531 0.092334 0.127273 O\n0.092334 0.657531 0.627273 O\n0.342469 0.907666 0.872727 O\n0.469143 0.530857 0.250000 O\n0.530857 0.469143 0.750000 O\n0.344987 0.904592 0.502553 O\n0.095408 0.655013 0.997447 O\n0.655013 0.095408 0.497447 O\n0.904592 0.344987 0.002553 O\n","nsites":16,"nelements":3,"elements":["Pd","Se","O"],"chemical_system":"O-Pd-Se","density":4.265618090629221,"density_atomic":0.05968142274353064,"volume":268.09012360105595,"volume_molar":10.09047787932098,"formula_full":"Pd2 Se4 O10","formula_reduced":"PdSe2O5","formula_anonymous":"AB2C5","energy":-91.17352383,"energy_per_atom":-5.698345239375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.30352383,"band_gap":1.0057,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.849000Z","spacegroup":15},{"id":"mp-1191338","created_at":"2022-09-04T14:40:40.920427Z","structure_string":"Tl4 Hg4 As4 S12\n1.0\n-5.836457 5.836457 5.313163\n5.836457 -5.836457 5.313163\n5.836457 5.836457 -5.313163\nTl Hg As S\n4 4 4 12\ndirect\n0.342412 0.342412 0.000000 Tl\n0.657588 0.657588 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.000000 0.276695 0.276695 Hg\n0.000000 0.723305 0.723305 Hg\n0.723305 0.000000 0.723305 Hg\n0.276695 0.000000 0.276695 Hg\n0.018822 0.018822 0.496321 As\n0.522501 0.522501 0.503679 As\n0.981178 0.477499 0.000000 As\n0.477499 0.981178 0.000000 As\n0.084698 0.286793 0.553065 S\n0.733729 0.531633 0.446935 S\n0.915302 0.468367 0.202096 S\n0.266271 0.713207 0.797904 S\n0.713207 0.266271 0.797904 S\n0.468367 0.915302 0.202096 S\n0.286793 0.084698 0.553065 S\n0.531633 0.733729 0.446935 S\n0.026409 0.026409 0.740052 S\n0.286357 0.286357 0.259948 S\n0.973591 0.713643 0.000000 S\n0.713643 0.973591 0.000000 S\n","nsites":24,"nelements":4,"elements":["Tl","Hg","As","S"],"chemical_system":"As-Hg-S-Tl","density":5.285519003917626,"density_atomic":0.03315122112945923,"volume":723.955232486831,"volume_molar":18.16566797489259,"formula_full":"Tl4 Hg4 As4 S12","formula_reduced":"TlHgAsS3","formula_anonymous":"ABCD3","energy":-87.97614021,"energy_per_atom":-3.6656725087499997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.94014021,"band_gap":0.1995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003423,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.671000Z","spacegroup":121},{"id":"mp-1073035","created_at":"2022-09-04T14:40:40.926009Z","structure_string":"Mg4 Si6\n1.0\n4.331390 0.000000 0.000000\n-1.122653 5.384289 0.000000\n-0.212206 -1.607064 8.135445\nMg Si\n4 6\ndirect\n0.199998 0.339000 0.580264 Mg\n0.800002 0.661000 0.419736 Mg\n0.847326 0.774190 0.800636 Mg\n0.152674 0.225810 0.199364 Mg\n0.989554 0.344608 0.879416 Si\n0.548851 0.872638 0.116770 Si\n0.451149 0.127362 0.883230 Si\n0.010446 0.655392 0.120584 Si\n0.370133 0.869566 0.600407 Si\n0.629867 0.130434 0.399593 Si\n","nsites":10,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3257210445216603,"density_atomic":0.05270636128536456,"volume":189.73041879817245,"volume_molar":11.425832884563448,"formula_full":"Mg4 Si6","formula_reduced":"Mg2Si3","formula_anonymous":"A2B3","energy":-37.65342515,"energy_per_atom":-3.7653425149999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.07942515,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014427,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.746000Z","spacegroup":2},{"id":"mp-1210410","created_at":"2022-09-04T14:40:40.928382Z","structure_string":"Na6 Zn4 W6 O24\n1.0\n7.056483 6.091324 0.000000\n-7.056483 6.091324 0.000000\n0.000000 3.027281 6.740190\nNa Zn W O\n6 4 6 24\ndirect\n0.234779 0.765221 0.250000 Na\n0.765221 0.234779 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.523887 0.476113 0.250000 Na\n0.476113 0.523887 0.750000 Na\n0.557819 0.864332 0.369786 Zn\n0.442181 0.135668 0.630214 Zn\n0.135668 0.442181 0.130214 Zn\n0.864332 0.557819 0.869786 Zn\n0.776223 0.223777 0.250000 W\n0.223777 0.776223 0.750000 W\n0.381347 0.168058 0.121077 W\n0.618653 0.831942 0.878923 W\n0.831942 0.618653 0.378923 W\n0.168058 0.381347 0.621077 W\n0.463255 0.116705 0.322003 O\n0.536745 0.883295 0.677997 O\n0.883295 0.536745 0.177997 O\n0.116705 0.463255 0.822003 O\n0.504241 0.840076 0.116349 O\n0.495759 0.159924 0.883651 O\n0.159924 0.495759 0.383651 O\n0.840076 0.504241 0.616349 O\n0.200385 0.036956 0.195808 O\n0.799615 0.963044 0.804192 O\n0.963044 0.799615 0.304192 O\n0.036956 0.200385 0.695808 O\n0.751865 0.022713 0.232501 O\n0.248135 0.977287 0.767499 O\n0.977287 0.248135 0.267499 O\n0.022713 0.751865 0.732501 O\n0.656753 0.259309 0.479723 O\n0.343247 0.740691 0.520277 O\n0.740691 0.343247 0.020277 O\n0.259309 0.656753 0.979723 O\n0.638650 0.653002 0.412811 O\n0.361350 0.346998 0.587189 O\n0.346998 0.361350 0.087189 O\n0.653002 0.638650 0.912811 O\n","nsites":40,"nelements":4,"elements":["Na","Zn","W","O"],"chemical_system":"Na-O-W-Zn","density":5.406632397540108,"density_atomic":0.06903317634802461,"volume":579.4315446002885,"volume_molar":8.723545805917889,"formula_full":"Na6 Zn4 W6 O24","formula_reduced":"Na3Zn2(WO4)3","formula_anonymous":"A2B3C3D12","energy":-290.58771469,"energy_per_atom":-7.26469286725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.47171469,"band_gap":1.8465,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0278657,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.762000Z","spacegroup":15},{"id":"mp-640564","created_at":"2022-09-04T14:40:40.936209Z","structure_string":"Ag2 Sb2 C12 N8 O4 F12\n1.0\n5.171390 5.983753 0.000000\n-5.171390 5.983753 0.000000\n0.000000 0.048039 10.688679\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.303065 0.696935 0.750000 Ag\n0.696935 0.303065 0.250000 Ag\n0.702373 0.297627 0.750000 Sb\n0.297627 0.702373 0.250000 Sb\n0.226014 0.052632 0.941680 C\n0.184437 0.215889 0.007955 C\n0.792527 0.635067 0.069530 C\n0.815563 0.784111 0.992045 C\n0.215889 0.184437 0.507955 C\n0.052632 0.226014 0.441680 C\n0.364933 0.207473 0.430470 C\n0.784111 0.815563 0.492045 C\n0.635067 0.792527 0.569530 C\n0.947368 0.773986 0.558320 C\n0.207473 0.364933 0.930470 C\n0.773986 0.947368 0.058320 C\n0.256430 0.923797 0.888689 N\n0.772233 0.520518 0.133189 N\n0.520518 0.772233 0.633189 N\n0.076203 0.743570 0.611311 N\n0.923797 0.256430 0.388689 N\n0.743570 0.076203 0.111311 N\n0.227767 0.479482 0.866811 N\n0.479482 0.227767 0.366811 N\n0.225972 0.135687 0.616032 O\n0.135687 0.225972 0.116032 O\n0.774028 0.864313 0.383968 O\n0.864313 0.774028 0.883968 O\n0.895266 0.228425 0.857477 F\n0.104734 0.771575 0.142523 F\n0.630919 0.491359 0.855300 F\n0.228425 0.895266 0.357477 F\n0.491359 0.630919 0.355300 F\n0.508641 0.369081 0.644700 F\n0.838018 0.431508 0.652177 F\n0.161982 0.568492 0.347823 F\n0.369081 0.508641 0.144700 F\n0.568492 0.161982 0.847823 F\n0.771575 0.104734 0.642523 F\n0.431508 0.838018 0.152177 F\n","nsites":40,"nelements":6,"elements":["Ag","Sb","C","N","O","F"],"chemical_system":"Ag-C-F-N-O-Sb","density":2.528851476109752,"density_atomic":0.060467917450006986,"volume":661.5078158276374,"volume_molar":9.95923295188547,"formula_full":"Ag2 Sb2 C12 N8 O4 F12","formula_reduced":"AgSbC6N4(OF3)2","formula_anonymous":"ABC2D4E6F6","energy":-271.30193405,"energy_per_atom":-6.78254835125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.12193405,"band_gap":1.4559,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013543,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.276000Z","spacegroup":15},{"id":"mp-1096958","created_at":"2022-09-04T14:40:40.948685Z","structure_string":"Dy2 Mn4 O8\n1.0\n3.113559 5.688409 0.000000\n-3.113559 5.688409 0.000000\n0.000000 3.427376 5.264329\nDy Mn O\n2 4 8\ndirect\n0.125453 0.125453 0.611983 Dy\n0.874547 0.874547 0.388017 Dy\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.733057 0.733057 0.796156 O\n0.751141 0.751141 0.220395 O\n0.730027 0.287246 0.265363 O\n0.287246 0.730027 0.265363 O\n0.266943 0.266943 0.203844 O\n0.248859 0.248859 0.779605 O\n0.269973 0.712754 0.734637 O\n0.712754 0.269973 0.734637 O\n","nsites":14,"nelements":3,"elements":["Dy","Mn","O"],"chemical_system":"Dy-Mn-O","density":5.990735966897669,"density_atomic":0.07507703317338509,"volume":186.47513637982993,"volume_molar":8.021282282282376,"formula_full":"Dy2 Mn4 O8","formula_reduced":"DyMn2O4","formula_anonymous":"AB2C4","energy":-122.22378798,"energy_per_atom":-8.73027057,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.05578798,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.911000Z","spacegroup":12},{"id":"mp-973606","created_at":"2022-09-04T14:40:40.960108Z","structure_string":"Nd2 Ir1 Au1\n1.0\n0.000000 3.630747 3.630747\n3.630747 0.000000 3.630747\n3.630747 3.630747 0.000000\nNd Ir Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Nd","Ir","Au"],"chemical_system":"Au-Ir-Nd","density":11.755682348363099,"density_atomic":0.041787080919703845,"volume":95.72336502006968,"volume_molar":14.411489454292996,"formula_full":"Nd2 Ir1 Au1","formula_reduced":"Nd2IrAu","formula_anonymous":"ABC2","energy":-24.36130663,"energy_per_atom":-6.0903266575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.36130663,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011997,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.338000Z","spacegroup":225},{"id":"mp-975204","created_at":"2022-09-04T14:40:40.967739Z","structure_string":"Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n","nsites":2,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.554570124248827,"density_atomic":0.01095364583240984,"volume":182.58760878340294,"volume_molar":54.97841405627324,"formula_full":"Rb2","formula_reduced":"Rb","formula_anonymous":"A","energy":-1.93738593,"energy_per_atom":-0.968692965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.93738593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0221897,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.617000Z","spacegroup":63}]}