{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12155","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=12153","results":[{"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-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-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-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-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-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-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-997004","created_at":"2022-09-04T14:44:58.628419Z","structure_string":"Ca2 Ag2 O4\n1.0\n3.467443 -4.612744 0.000000\n3.467443 4.612744 0.000000\n0.000000 0.000000 3.458587\nCa Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.750000 0.250000 0.134365 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.500000 O\n0.250000 0.750000 0.865635 O\n","nsites":8,"nelements":3,"elements":["Ca","Ag","O"],"chemical_system":"Ag-Ca-O","density":5.401588465776304,"density_atomic":0.07230904127314172,"volume":110.63623385325535,"volume_molar":8.328337167757262,"formula_full":"Ca2 Ag2 O4","formula_reduced":"CaAgO2","formula_anonymous":"ABC2","energy":-44.71270509,"energy_per_atom":-5.58908813625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.96470509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003297,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.027000Z","spacegroup":67},{"id":"mp-997005","created_at":"2022-09-04T14:39:46.067623Z","structure_string":"Ca2 Ag2 O4\n1.0\n3.398801 -4.822494 0.000000\n3.398801 4.822494 0.000000\n0.000000 0.000000 3.347019\nCa Ag O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.777190 0.222810 0.500000 O\n0.708819 0.708819 0.000000 O\n0.291181 0.291181 0.000000 O\n0.222810 0.777190 0.500000 O\n","nsites":8,"nelements":3,"elements":["Ca","Ag","O"],"chemical_system":"Ag-Ca-O","density":5.446697677411164,"density_atomic":0.07291290139069238,"volume":109.71995144087397,"volume_molar":8.259362396966347,"formula_full":"Ca2 Ag2 O4","formula_reduced":"CaAgO2","formula_anonymous":"ABC2","energy":-44.61271975,"energy_per_atom":-5.57658996875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.86471975,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.02e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.056000Z","spacegroup":65},{"id":"mp-997006","created_at":"2022-09-04T14:40:28.617760Z","structure_string":"Ag2 Pt2 O4\n1.0\n3.139200 0.000000 0.000000\n0.000000 6.337390 0.000000\n0.000000 2.996485 5.707211\nAg Pt O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.766290 0.631630 O\n0.500000 0.085210 0.771680 O\n0.500000 0.914790 0.228320 O\n0.000000 0.233710 0.368370 O\n","nsites":8,"nelements":3,"elements":["Ag","Pt","O"],"chemical_system":"Ag-O-Pt","density":9.797313901605593,"density_atomic":0.07045902643164292,"volume":113.54116576903517,"volume_molar":8.547011028945294,"formula_full":"Ag2 Pt2 O4","formula_reduced":"AgPtO2","formula_anonymous":"ABC2","energy":-43.00024351,"energy_per_atom":-5.37503043875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.25224351,"band_gap":0.3870999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000359,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.203000Z","spacegroup":10},{"id":"mp-997007","created_at":"2022-09-04T14:40:55.076867Z","structure_string":"Ag2 Pt2 O4\n1.0\n1.562494 5.406463 0.000000\n-1.562494 5.406463 0.000000\n0.000000 0.567691 6.504829\nAg Pt O\n2 2 4\ndirect\n0.639240 0.639240 0.551590 Ag\n0.360760 0.360760 0.448410 Ag\n0.115690 0.115690 0.056620 Pt\n0.884310 0.884310 0.943380 Pt\n0.683100 0.683100 0.872870 O\n0.431920 0.431920 0.752080 O\n0.568080 0.568080 0.247920 O\n0.316900 0.316900 0.127130 O\n","nsites":8,"nelements":3,"elements":["Ag","Pt","O"],"chemical_system":"Ag-O-Pt","density":10.121919952618493,"density_atomic":0.07279348530046012,"volume":109.89994457580165,"volume_molar":8.272911696895951,"formula_full":"Ag2 Pt2 O4","formula_reduced":"AgPtO2","formula_anonymous":"ABC2","energy":-42.83228061,"energy_per_atom":-5.35403507625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.08428061,"band_gap":0.0554999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001235,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.366000Z","spacegroup":12},{"id":"mp-997008","created_at":"2022-09-04T14:40:17.492468Z","structure_string":"Tl2 Au2 O4\n1.0\n1.769783 -3.065354 0.000000\n1.769783 3.065354 0.000000\n0.000000 0.000000 12.664850\nTl Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.588317 O\n0.333333 0.666667 0.088317 O\n0.666667 0.333333 0.911683 O\n0.333333 0.666667 0.411683 O\n","nsites":8,"nelements":3,"elements":["Tl","Au","O"],"chemical_system":"Au-O-Tl","density":10.473355833976052,"density_atomic":0.05821826865568825,"volume":137.41391121253062,"volume_molar":10.344073946300021,"formula_full":"Tl2 Au2 O4","formula_reduced":"TlAuO2","formula_anonymous":"ABC2","energy":-37.23902285,"energy_per_atom":-4.65487785625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.49102285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024848,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.835000Z","spacegroup":194}]}