{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10157","results":[{"id":"mp-1213727","created_at":"2022-09-04T14:42:47.032177Z","structure_string":"Cs8 P12 Se24\n1.0\n10.848430 0.000000 0.000000\n0.000000 11.171133 0.000000\n0.000000 9.180337 12.628405\nCs P Se\n8 12 24\ndirect\n0.998967 0.755928 0.254028 Cs\n0.001033 0.244072 0.745972 Cs\n0.498967 0.244072 0.245972 Cs\n0.501033 0.755928 0.754028 Cs\n0.999596 0.345235 0.178416 Cs\n0.000404 0.654765 0.821584 Cs\n0.499596 0.654765 0.321584 Cs\n0.500404 0.345235 0.678416 Cs\n0.950846 0.995810 0.438118 P\n0.049154 0.004190 0.561882 P\n0.450846 0.004190 0.061882 P\n0.549154 0.995810 0.938118 P\n0.683197 0.852622 0.443077 P\n0.316803 0.147378 0.556923 P\n0.183197 0.147378 0.056923 P\n0.816803 0.852622 0.943077 P\n0.700852 0.639663 0.055639 P\n0.299148 0.360337 0.944361 P\n0.200852 0.360337 0.444361 P\n0.799148 0.639663 0.555639 P\n0.492685 0.798650 0.489401 Se\n0.507315 0.201350 0.510599 Se\n0.992685 0.201350 0.010599 Se\n0.007315 0.798650 0.989401 Se\n0.788034 0.501972 0.500713 Se\n0.211966 0.498028 0.499287 Se\n0.288034 0.498028 0.999287 Se\n0.711966 0.501972 0.000713 Se\n0.502870 0.747038 0.014149 Se\n0.497130 0.252962 0.985851 Se\n0.002870 0.252962 0.485851 Se\n0.997130 0.747038 0.514149 Se\n0.734761 0.958791 0.280259 Se\n0.265239 0.041209 0.719741 Se\n0.234761 0.041209 0.219741 Se\n0.765239 0.958791 0.780259 Se\n0.742856 0.984557 0.004586 Se\n0.257144 0.015443 0.995414 Se\n0.242856 0.015443 0.495414 Se\n0.757144 0.984557 0.504586 Se\n0.745030 0.533195 0.220404 Se\n0.254970 0.466805 0.779596 Se\n0.245030 0.466805 0.279596 Se\n0.754970 0.533195 0.720404 Se\n","nsites":44,"nelements":3,"elements":["Cs","P","Se"],"chemical_system":"Cs-P-Se","density":3.6130722120973195,"density_atomic":0.028750146466893944,"volume":1530.4269858474079,"volume_molar":20.946469844717317,"formula_full":"Cs8 P12 Se24","formula_reduced":"Cs2(PSe2)3","formula_anonymous":"A2B3C6","energy":-189.77317017,"energy_per_atom":-4.313026594772727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.44517017,"band_gap":1.3135,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.190000Z","spacegroup":14},{"id":"mp-1113403","created_at":"2022-09-04T14:45:14.322919Z","structure_string":"Rb2 Dy1 Cu1 Cl6\n1.0\n0.000000 5.205601 5.205601\n5.205601 0.000000 5.205601\n5.205601 5.205601 0.000000\nRb Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.746499 0.253501 0.253501 Cl\n0.253501 0.253501 0.746499 Cl\n0.253501 0.746499 0.746499 Cl\n0.253501 0.746499 0.253501 Cl\n0.746499 0.253501 0.746499 Cl\n0.746499 0.746499 0.253501 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Dy","Cu","Cl"],"chemical_system":"Cl-Cu-Dy-Rb","density":3.5885779182148676,"density_atomic":0.035445195239075064,"volume":282.1256853728914,"volume_molar":16.990005893270247,"formula_full":"Rb2 Dy1 Cu1 Cl6","formula_reduced":"Rb2DyCuCl6","formula_anonymous":"ABC2D6","energy":-43.12840440000001,"energy_per_atom":-4.31284044,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.4444044,"band_gap":2.5201,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004507,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.813000Z","spacegroup":225},{"id":"mp-12863","created_at":"2022-09-04T14:45:30.787137Z","structure_string":"Ba1 Al2 Si2\n1.0\n-2.114599 2.114599 6.416961\n2.114599 -2.114599 6.416961\n2.114599 2.114599 -6.416961\nBa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.362162 0.362162 0.000000 Si\n0.637838 0.637838 0.000000 Si\n","nsites":5,"nelements":3,"elements":["Ba","Al","Si"],"chemical_system":"Al-Ba-Si","density":3.5802269751419886,"density_atomic":0.04356368089976328,"volume":114.77450703728687,"volume_molar":13.82376474076304,"formula_full":"Ba1 Al2 Si2","formula_reduced":"Ba(AlSi)2","formula_anonymous":"AB2C2","energy":-21.56412416,"energy_per_atom":-4.3128248319999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.70612416,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001035,"is_theoretical":false,"updated_at":"2021-11-28T01:36:59.374000Z","spacegroup":139},{"id":"mp-1110694","created_at":"2022-09-04T14:44:10.897715Z","structure_string":"Rb3 Er1 Cl6\n1.0\n0.000000 5.726810 5.726810\n5.726810 0.000000 5.726810\n5.726810 5.726810 0.000000\nRb Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.771898 0.228102 0.228102 Cl\n0.228102 0.228102 0.771898 Cl\n0.228102 0.771898 0.771898 Cl\n0.228102 0.771898 0.228102 Cl\n0.771898 0.228102 0.771898 Cl\n0.771898 0.771898 0.228102 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Er","Cl"],"chemical_system":"Cl-Er-Rb","density":2.81318033656105,"density_atomic":0.026621448391385708,"volume":375.6369620833946,"volume_molar":22.621386603249853,"formula_full":"Rb3 Er1 Cl6","formula_reduced":"Rb3ErCl6","formula_anonymous":"AB3C6","energy":-43.12779995,"energy_per_atom":-4.3127799950000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.44379995,"band_gap":4.6977,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004769,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.843000Z","spacegroup":225},{"id":"mp-1205794","created_at":"2022-09-04T14:45:13.082698Z","structure_string":"Rb3 Ho1 Cl6\n1.0\n0.000000 5.740403 5.740403\n5.740403 0.000000 5.740403\n5.740403 5.740403 0.000000\nRb Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n0.771537 0.228463 0.228463 Cl\n0.228463 0.771537 0.771537 Cl\n0.228463 0.771537 0.228463 Cl\n0.771537 0.228463 0.771537 Cl\n0.228463 0.228463 0.771537 Cl\n0.771537 0.771537 0.228463 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Ho","Cl"],"chemical_system":"Cl-Ho-Rb","density":2.7830219943660346,"density_atomic":0.02643278090001869,"volume":378.3181208902968,"volume_molar":22.782849760600637,"formula_full":"Rb3 Ho1 Cl6","formula_reduced":"Rb3HoCl6","formula_anonymous":"AB3C6","energy":-43.12721288,"energy_per_atom":-4.3127212880000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.44321288,"band_gap":4.6924,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005934,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.991000Z","spacegroup":225},{"id":"mp-1226622","created_at":"2022-09-04T14:46:26.519223Z","structure_string":"Ce2 Ga2 Ag2\n1.0\n2.337249 5.259917 0.000000\n-2.337249 5.259917 0.000000\n0.000000 4.883091 5.455472\nCe Ga Ag\n2 2 2\ndirect\n0.531948 0.531948 0.709477 Ce\n0.468052 0.468052 0.290523 Ce\n0.841250 0.841250 0.111634 Ga\n0.158750 0.158750 0.888366 Ga\n0.172302 0.172302 0.276117 Ag\n0.827698 0.827698 0.723883 Ag\n","nsites":6,"nelements":3,"elements":["Ce","Ga","Ag"],"chemical_system":"Ag-Ce-Ga","density":7.866108810409565,"density_atomic":0.044730633589165965,"volume":134.13626230085944,"volume_molar":13.463124209934286,"formula_full":"Ce2 Ga2 Ag2","formula_reduced":"CeGaAg","formula_anonymous":"ABC","energy":-25.87620792,"energy_per_atom":-4.3127013199999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.87620792,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3314632,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.056000Z","spacegroup":12},{"id":"mp-1236093","created_at":"2022-09-04T14:42:55.245082Z","structure_string":"Li1 Bi2 I2 O2\n1.0\n4.100551 0.000000 0.000000\n0.000000 4.100551 0.000000\n0.000000 0.000000 10.377163\nLi Bi I O\n1 2 2 2\ndirect\n0.750000 0.750000 0.074420 Li\n0.750000 0.750000 0.825604 Bi\n0.250000 0.250000 0.125837 Bi\n0.250000 0.250000 0.686423 I\n0.750000 0.750000 0.329743 I\n0.750000 0.250000 0.019611 O\n0.250000 0.750000 0.019611 O\n","nsites":7,"nelements":4,"elements":["Li","Bi","I","O"],"chemical_system":"Bi-I-Li-O","density":6.763603942162122,"density_atomic":0.040117602050293244,"volume":174.48699927838365,"volume_molar":15.011218149206352,"formula_full":"Li1 Bi2 I2 O2","formula_reduced":"LiBi2(IO)2","formula_anonymous":"AB2C2D2","energy":-30.1885196,"energy_per_atom":-4.312645657142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.0565196,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.450000Z","spacegroup":99},{"id":"mp-1025519","created_at":"2022-09-04T14:40:24.611792Z","structure_string":"Rb1 Cu4 S3\n1.0\n3.912039 0.000000 0.000000\n0.000000 3.912039 0.000000\n0.000000 0.000000 9.482225\nRb Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.157463 Cu\n0.000000 0.500000 0.842537 Cu\n0.500000 0.000000 0.157463 Cu\n0.500000 0.000000 0.842537 Cu\n0.500000 0.500000 0.285804 S\n0.500000 0.500000 0.714196 S\n0.000000 0.000000 0.000000 S\n","nsites":8,"nelements":3,"elements":["Rb","Cu","S"],"chemical_system":"Cu-Rb-S","density":4.987309857887929,"density_atomic":0.05512814500565963,"volume":145.11643733303006,"volume_molar":10.923895152615327,"formula_full":"Rb1 Cu4 S3","formula_reduced":"RbCu4S3","formula_anonymous":"AB3C4","energy":-34.50070621,"energy_per_atom":-4.31258827625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.99170621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030264,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.726000Z","spacegroup":123},{"id":"mp-35269","created_at":"2022-09-04T14:48:09.004547Z","structure_string":"Ca8 Sb4 S2\n1.0\n-4.586400 4.586400 4.770171\n4.586400 -4.586400 4.770171\n4.586400 4.586400 -4.770171\nCa Sb S\n8 4 2\ndirect\n0.613508 0.875710 0.878265 Ca\n0.264757 0.386492 0.262202 Ca\n0.124290 0.002555 0.737798 Ca\n0.485243 0.247445 0.621735 Ca\n0.136492 0.514757 0.762202 Ca\n0.752555 0.374290 0.237798 Ca\n0.997445 0.735243 0.121735 Ca\n0.625710 0.863508 0.378265 Ca\n0.375000 0.997355 0.122355 Sb\n0.002645 0.125000 0.377645 Sb\n0.875000 0.252645 0.877645 Sb\n0.747355 0.625000 0.622355 Sb\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n","nsites":14,"nelements":3,"elements":["Ca","Sb","S"],"chemical_system":"Ca-S-Sb","density":3.6068258743170616,"density_atomic":0.03488110536116919,"volume":401.3634274212327,"volume_molar":17.264764684619337,"formula_full":"Ca8 Sb4 S2","formula_reduced":"Ca4Sb2S","formula_anonymous":"AB2C4","energy":-60.37440796999999,"energy_per_atom":-4.312457712142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.60040796999999,"band_gap":1.0818999999999992,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021782,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.010000Z","spacegroup":122},{"id":"mp-788090","created_at":"2022-09-04T14:42:51.729240Z","structure_string":"La8 Nb8 N8 O20\n1.0\n8.052663 0.000000 0.000000\n-2.003207 13.597451 0.000000\n0.001096 -0.118760 5.713381\nLa Nb N O\n8 8 8 20\ndirect\n0.567631 0.339239 0.133640 La\n0.909648 0.765226 0.214594 La\n0.122269 0.253046 0.275300 La\n0.381437 0.772844 0.338564 La\n0.616284 0.286862 0.673862 La\n0.880555 0.751809 0.729413 La\n0.093096 0.265029 0.779626 La\n0.432334 0.829869 0.862340 La\n0.312104 0.263190 0.058354 Nb\n0.109071 0.739576 0.017364 Nb\n0.673459 0.793852 0.414876 Nb\n0.882442 0.264673 0.470721 Nb\n0.118289 0.766303 0.535166 Nb\n0.326453 0.284238 0.587552 Nb\n0.875232 0.264310 0.963401 Nb\n0.676354 0.786401 0.928015 Nb\n0.190118 0.456457 0.029930 N\n0.772695 0.455070 0.872693 N\n0.986343 0.539489 0.961109 N\n0.569237 0.557549 0.873281 N\n0.108759 0.820880 0.771270 N\n0.303787 0.192781 0.822935 N\n0.821788 0.940911 0.974566 N\n0.590061 0.045922 0.916242 N\n0.409337 0.540587 0.091874 O\n0.696092 0.688025 0.182507 O\n0.889742 0.321314 0.229235 O\n0.429995 0.053158 0.136136 O\n0.025703 0.039508 0.051110 O\n0.230379 0.972772 0.126006 O\n0.614194 0.078699 0.374576 O\n0.820768 0.943578 0.431215 O\n0.086392 0.673657 0.277618 O\n0.304486 0.352497 0.337169 O\n0.560803 0.586851 0.409180 O\n0.980722 0.523858 0.535808 O\n0.774613 0.453933 0.499159 O\n0.228054 0.962987 0.497314 O\n0.019419 0.029680 0.461380 O\n0.436632 0.080569 0.587002 O\n0.695053 0.847004 0.663278 O\n0.912371 0.174135 0.721562 O\n0.178438 0.444984 0.565017 O\n0.387360 0.581658 0.618039 O\n","nsites":44,"nelements":4,"elements":["La","Nb","N","O"],"chemical_system":"La-N-Nb-O","density":6.06927762550377,"density_atomic":0.0703335378407735,"volume":625.5905980388844,"volume_molar":8.562260544369868,"formula_full":"La8 Nb8 N8 O20","formula_reduced":"La2Nb2N2O5","formula_anonymous":"A2B2C2D5","energy":-189.74737255,"energy_per_atom":-4.3124402852272725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.11937255,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6716703,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.585000Z","spacegroup":1},{"id":"mp-1102163","created_at":"2022-09-04T14:48:17.902832Z","structure_string":"Li8 As1 O3\n1.0\n5.093697 0.000000 0.000000\n0.000000 5.093697 0.000000\n0.000000 0.000000 5.093697\nLi As O\n8 1 3\ndirect\n0.268665 0.268665 0.268665 Li\n0.731335 0.731335 0.268665 Li\n0.731335 0.268665 0.731335 Li\n0.268665 0.731335 0.731335 Li\n0.268665 0.268665 0.731335 Li\n0.731335 0.731335 0.731335 Li\n0.731335 0.268665 0.268665 Li\n0.268665 0.731335 0.268665 Li\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":12,"nelements":3,"elements":["Li","As","O"],"chemical_system":"As-Li-O","density":2.242130950658971,"density_atomic":0.09079917953745861,"volume":132.1597844950733,"volume_molar":6.6323735420049745,"formula_full":"Li8 As1 O3","formula_reduced":"Li8AsO3","formula_anonymous":"AB3C8","energy":-51.74645695,"energy_per_atom":-4.312204745833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.68545695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997782,"is_theoretical":true,"updated_at":"2021-11-28T01:38:46.177000Z","spacegroup":221},{"id":"mp-1186908","created_at":"2022-09-04T14:43:11.327298Z","structure_string":"Rh2 Br2\n1.0\n1.775765 -3.075715 0.000000\n1.775765 3.075715 0.000000\n0.000000 0.000000 7.839773\nRh Br\n2 2\ndirect\n0.666667 0.333333 0.842594 Rh\n0.333333 0.666667 0.342594 Rh\n0.666667 0.333333 0.532405 Br\n0.333333 0.666667 0.032405 Br\n","nsites":4,"nelements":2,"elements":["Rh","Br"],"chemical_system":"Br-Rh","density":7.0894539821753355,"density_atomic":0.04670839295217855,"volume":85.63771406340868,"volume_molar":12.893059211361965,"formula_full":"Rh2 Br2","formula_reduced":"RhBr","formula_anonymous":"AB","energy":-17.24869685,"energy_per_atom":-4.3121742125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.18069685,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003647,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.100000Z","spacegroup":186}]}