{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=42","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=40","results":[{"id":"mp-997003","created_at":"2022-09-04T14:45:02.997756Z","structure_string":"La2 Au2 O4\n1.0\n1.950890 -3.379041 0.000000\n1.950890 3.379041 0.000000\n0.000000 0.000000 12.052483\nLa Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.581235 O\n0.333333 0.666667 0.081235 O\n0.333333 0.666667 0.418765 O\n0.666667 0.333333 0.918765 O\n","nsites":8,"nelements":3,"elements":["La","Au","O"],"chemical_system":"Au-La-O","density":7.688501239703495,"density_atomic":0.05034510138481475,"volume":158.90324539922338,"volume_molar":11.961721387686822,"formula_full":"La2 Au2 O4","formula_reduced":"LaAuO2","formula_anonymous":"ABC2","energy":-56.71761611,"energy_per_atom":-7.08970201375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.96961611,"band_gap":2.5031,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001047,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.787000Z","spacegroup":194},{"id":"mp-997002","created_at":"2022-09-04T14:46:06.430993Z","structure_string":"K2 Au2 O4\n1.0\n2.240380 -6.027446 0.000000\n2.240380 6.027446 0.000000\n0.000000 0.000000 6.103880\nK Au O\n2 2 4\ndirect\n0.703610 0.296390 0.250000 K\n0.296390 0.703610 0.750000 K\n0.002750 0.997250 0.750000 Au\n0.997250 0.002750 0.250000 Au\n0.112310 0.887690 0.494740 O\n0.887690 0.112310 0.505260 O\n0.887690 0.112310 0.994740 O\n0.112310 0.887690 0.005260 O\n","nsites":8,"nelements":3,"elements":["K","Au","O"],"chemical_system":"Au-K-O","density":5.400401543852958,"density_atomic":0.048528737057378306,"volume":164.8507767787392,"volume_molar":12.409432276961336,"formula_full":"K2 Au2 O4","formula_reduced":"KAuO2","formula_anonymous":"ABC2","energy":-37.75469201,"energy_per_atom":-4.71933650125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.00669201,"band_gap":1.4264,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.566000Z","spacegroup":63},{"id":"mp-997001","created_at":"2022-09-04T14:41:09.741680Z","structure_string":"Ag2 Hg2 O4\n1.0\n3.904880 0.000000 0.000000\n0.000000 5.686660 0.000000\n0.000000 1.883706 5.837750\nAg Hg O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.703660 0.282590 0.795080 O\n0.296340 0.717410 0.204920 O\n0.796340 0.282590 0.295080 O\n0.203660 0.717410 0.704920 O\n","nsites":8,"nelements":3,"elements":["Ag","Hg","O"],"chemical_system":"Ag-Hg-O","density":8.722297859369537,"density_atomic":0.061713409303286115,"volume":129.6314705396452,"volume_molar":9.758237031444207,"formula_full":"Ag2 Hg2 O4","formula_reduced":"AgHgO2","formula_anonymous":"ABC2","energy":-30.12815373,"energy_per_atom":-3.76601921625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.38015373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007987,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.810000Z","spacegroup":14},{"id":"mp-997000","created_at":"2022-09-04T14:41:31.931852Z","structure_string":"Ag2 Hg2 O4\n1.0\n4.067500 0.000000 0.000000\n-0.050327 5.459148 0.000000\n-0.529664 -0.224100 5.915820\nAg Hg O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.701770 0.716380 0.790780 O\n0.660870 0.788110 0.293470 O\n0.298230 0.283620 0.209220 O\n0.339130 0.211890 0.706530 O\n","nsites":8,"nelements":3,"elements":["Ag","Hg","O"],"chemical_system":"Ag-Hg-O","density":8.607439519434182,"density_atomic":0.06090074504226088,"volume":131.36128292763178,"volume_molar":9.888451702554793,"formula_full":"Ag2 Hg2 O4","formula_reduced":"AgHgO2","formula_anonymous":"ABC2","energy":-30.16385799,"energy_per_atom":-3.77048224875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.41585799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012329,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.660000Z","spacegroup":2},{"id":"mp-9970","created_at":"2022-09-04T14:39:31.868129Z","structure_string":"Sc2 Ge2\n1.0\n2.020651 -5.066923 0.000000\n2.020651 5.066923 0.000000\n0.000000 0.000000 3.781376\nSc Ge\n2 2\ndirect\n0.864031 0.135969 0.750000 Sc\n0.135969 0.864031 0.250000 Sc\n0.590469 0.409531 0.750000 Ge\n0.409531 0.590469 0.250000 Ge\n","nsites":4,"nelements":2,"elements":["Sc","Ge"],"chemical_system":"Ge-Sc","density":5.043776616953071,"density_atomic":0.051658824262164345,"volume":77.43110798844984,"volume_molar":11.657525787730133,"formula_full":"Sc2 Ge2","formula_reduced":"ScGe","formula_anonymous":"AB","energy":-25.22217523,"energy_per_atom":-6.3055438075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.22217523,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.58e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.138000Z","spacegroup":63},{"id":"mp-996999","created_at":"2022-09-04T14:44:09.744339Z","structure_string":"Cu2 H2 O4\n1.0\n1.484484 -5.965073 0.000000\n1.484484 5.965073 0.000000\n0.000000 0.000000 4.030711\nCu H O\n2 2 4\ndirect\n0.821774 0.178226 0.457543 Cu\n0.178226 0.821774 0.957543 Cu\n0.481678 0.518322 0.263453 H\n0.518322 0.481678 0.763453 H\n0.569115 0.430885 0.968367 O\n0.430885 0.569115 0.468367 O\n0.209795 0.790205 0.459847 O\n0.790205 0.209795 0.959847 O\n","nsites":8,"nelements":3,"elements":["Cu","H","O"],"chemical_system":"Cu-H-O","density":4.492010427701832,"density_atomic":0.11206939999986187,"volume":71.38433863311359,"volume_molar":5.3735816913514505,"formula_full":"Cu2 H2 O4","formula_reduced":"CuHO2","formula_anonymous":"ABC2","energy":-42.43957041,"energy_per_atom":-5.30494630125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.69157041,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0152402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.190000Z","spacegroup":36},{"id":"mp-996998","created_at":"2022-09-04T14:47:43.528416Z","structure_string":"H2 Au2 O4\n1.0\n4.153490 0.000000 0.000000\n-1.994538 4.278615 0.000000\n-0.042564 -0.296048 5.484741\nH Au O\n2 2 4\ndirect\n0.926970 0.980790 0.248630 H\n0.073030 0.019210 0.751370 H\n0.000000 0.500000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.241560 0.280370 0.797060 O\n0.953070 0.723180 0.704710 O\n0.758440 0.719630 0.202940 O\n0.046930 0.276820 0.295290 O\n","nsites":8,"nelements":3,"elements":["H","Au","O"],"chemical_system":"Au-H-O","density":7.835812304240492,"density_atomic":0.0820762459549312,"volume":97.4703448838641,"volume_molar":7.337251710204694,"formula_full":"H2 Au2 O4","formula_reduced":"HAuO2","formula_anonymous":"ABC2","energy":-39.16812469,"energy_per_atom":-4.89601558625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.42012469,"band_gap":0.6675,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010475,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.287000Z","spacegroup":2},{"id":"mp-996997","created_at":"2022-09-04T14:42:13.553120Z","structure_string":"Li2 Ag2 O4\n1.0\n3.790756 0.000000 0.000000\n0.000000 4.755667 0.000000\n0.000000 0.000000 5.438421\nLi Ag O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.750000 0.247969 0.250000 O\n0.750000 0.247969 0.750000 O\n0.250000 0.752031 0.250000 O\n0.250000 0.752031 0.750000 O\n","nsites":8,"nelements":3,"elements":["Li","Ag","O"],"chemical_system":"Ag-Li-O","density":4.9730030214325485,"density_atomic":0.08159807150924074,"volume":98.04153274742558,"volume_molar":7.3802488816393295,"formula_full":"Li2 Ag2 O4","formula_reduced":"LiAgO2","formula_anonymous":"ABC2","energy":-38.11821984,"energy_per_atom":-4.76477748,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.37021984,"band_gap":0.5004000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007405,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.997000Z","spacegroup":53},{"id":"mp-996996","created_at":"2022-09-04T14:41:32.890376Z","structure_string":"Cr2 Au2 O4\n1.0\n-1.582362 2.635876 0.000000\n-4.367622 -2.621959 -11.404421\n-2.986583 0.000000 0.729403\nCr Au O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Cr\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.056608 0.169823 0.886785 O\n0.556608 0.669823 0.886785 O\n0.443392 0.330177 0.113215 O\n0.943392 0.830177 0.113215 O\n","nsites":8,"nelements":3,"elements":["Cr","Au","O"],"chemical_system":"Au-Cr-O","density":9.220117994885612,"density_atomic":0.07904976950159429,"volume":101.20206612163057,"volume_molar":7.618163592341082,"formula_full":"Cr2 Au2 O4","formula_reduced":"CrAuO2","formula_anonymous":"ABC2","energy":-58.627615600000006,"energy_per_atom":-7.328451950000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.8816156,"band_gap":1.2660000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.895000Z","spacegroup":166},{"id":"mp-996995","created_at":"2022-09-04T14:43:15.587259Z","structure_string":"Mn4 Ag4 O8\n1.0\n-3.137077 -0.155123 0.676709\n-1.832928 -2.862340 -12.196570\n-0.072198 -5.214844 0.657895\nMn Ag O\n4 4 8\ndirect\n0.373820 0.750077 0.874006 Mn\n0.625914 0.249865 0.126077 Mn\n0.125637 0.250138 0.625876 Mn\n0.874664 0.750005 0.374310 Mn\n0.251735 0.499996 0.250322 Ag\n0.000048 0.000011 0.999913 Ag\n0.748301 0.499990 0.749574 Ag\n0.499996 0.999974 0.499943 Ag\n0.813784 0.667971 0.715290 O\n0.565560 0.167925 0.467038 O\n0.314732 0.667973 0.215309 O\n0.065627 0.167966 0.966801 O\n0.934270 0.832066 0.033115 O\n0.685326 0.331973 0.784764 O\n0.434470 0.832020 0.533037 O\n0.186120 0.332051 0.284624 O\n","nsites":16,"nelements":3,"elements":["Mn","Ag","O"],"chemical_system":"Ag-Mn-O","density":6.119574790496833,"density_atomic":0.0756714299518373,"volume":211.44043412663856,"volume_molar":7.958275354163283,"formula_full":"Mn4 Ag4 O8","formula_reduced":"MnAgO2","formula_anonymous":"ABC2","energy":-110.50670156,"energy_per_atom":-6.9066688475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.33870156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.781000Z","spacegroup":12},{"id":"mp-996994","created_at":"2022-09-04T14:47:24.123799Z","structure_string":"Fe4 Au4 O8\n1.0\n4.413587 2.651169 -1.477254\n3.194034 -5.317038 -0.000165\n1.596726 -2.658895 -6.459807\nFe Au O\n4 4 8\ndirect\n0.500000 0.749669 0.000001 Fe\n0.000000 0.500331 0.999999 Fe\n0.499999 0.249668 0.999997 Fe\n0.000000 0.000331 0.000001 Fe\n0.000001 0.999905 0.499999 Au\n0.000000 0.499904 0.500001 Au\n0.500000 0.750096 0.499999 Au\n0.499999 0.250095 0.500001 Au\n0.887719 0.831732 0.837303 O\n0.887719 0.331734 0.837303 O\n0.387718 0.580957 0.837303 O\n0.387719 0.080956 0.837302 O\n0.112282 0.169044 0.162698 O\n0.112282 0.669043 0.162697 O\n0.612281 0.918266 0.162698 O\n0.612282 0.418268 0.162697 O\n","nsites":16,"nelements":3,"elements":["Fe","Au","O"],"chemical_system":"Au-Fe-O","density":9.170090115628675,"density_atomic":0.07755837495830026,"volume":206.2962253735009,"volume_molar":7.764655671599413,"formula_full":"Fe4 Au4 O8","formula_reduced":"FeAuO2","formula_anonymous":"ABC2","energy":-105.04443257,"energy_per_atom":-6.565277035625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.52443257,"band_gap":0.4779,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.442000Z","spacegroup":166},{"id":"mp-996993","created_at":"2022-09-04T14:42:28.144552Z","structure_string":"Cu1 Br1 O2\n1.0\n1.483074 3.471150 0.000000\n-1.483074 3.471150 0.000000\n0.000000 0.892089 5.984293\nCu Br O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Br\n0.917853 0.917853 0.833834 O\n0.082147 0.082147 0.166166 O\n","nsites":4,"nelements":3,"elements":["Cu","Br","O"],"chemical_system":"Br-Cu-O","density":4.728467977218997,"density_atomic":0.06492036365664695,"volume":61.61394937889346,"volume_molar":9.276196898480276,"formula_full":"Cu1 Br1 O2","formula_reduced":"CuBrO2","formula_anonymous":"ABC2","energy":-17.853079769999997,"energy_per_atom":-4.463269942499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.47907977,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006263,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.524000Z","spacegroup":12}]}