{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10258","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10256","results":[{"id":"mp-1224413","created_at":"2022-09-04T14:39:38.045018Z","structure_string":"H3 Pd4\n1.0\n9.488777 -1.453316 0.000000\n9.488777 1.453316 0.000000\n9.266185 0.000000 2.507356\nH Pd\n3 4\ndirect\n0.259651 0.259651 0.259651 H\n0.500000 0.500000 0.500000 H\n0.740349 0.740349 0.740349 H\n0.124805 0.124805 0.124805 Pd\n0.875195 0.875195 0.875195 Pd\n0.374190 0.374190 0.374190 Pd\n0.625810 0.625810 0.625810 Pd\n","nsites":7,"nelements":2,"elements":["H","Pd"],"chemical_system":"H-Pd","density":10.29414211662757,"density_atomic":0.10122359300609744,"volume":69.15383846904484,"volume_molar":5.949344990784157,"formula_full":"H3 Pd4","formula_reduced":"H3Pd4","formula_anonymous":"A3B4","energy":-31.376832460000003,"energy_per_atom":-4.482404637142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.376832460000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017112,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.276000Z","spacegroup":166},{"id":"mp-1180279","created_at":"2022-09-04T14:42:52.442853Z","structure_string":"Mg2 F4\n1.0\n-1.958106 3.298708 4.288165\n1.958106 -3.298708 4.288165\n1.958106 3.298708 -4.288165\nMg F\n2 4\ndirect\n0.854508 0.604508 0.250000 Mg\n0.145492 0.395492 0.750000 Mg\n0.090880 0.840880 0.250000 F\n0.500000 0.500000 0.000000 F\n0.909120 0.159120 0.750000 F\n0.000000 0.500000 0.500000 F\n","nsites":6,"nelements":2,"elements":["Mg","F"],"chemical_system":"F-Mg","density":1.8675325542799164,"density_atomic":0.05415514205528346,"volume":110.79280327387914,"volume_molar":11.120164275171483,"formula_full":"Mg2 F4","formula_reduced":"MgF2","formula_anonymous":"AB2","energy":-33.22151394,"energy_per_atom":-5.53691899,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.373513939999995,"band_gap":6.4719,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002144,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.551000Z","spacegroup":74},{"id":"mp-1232317","created_at":"2022-09-04T14:48:02.294959Z","structure_string":"K4 Zn2 Se4\n1.0\n-3.273245 3.528166 6.626903\n3.273245 -3.528166 6.626903\n3.273245 3.528166 -6.626903\nK Zn Se\n4 2 4\ndirect\n0.811541 0.641438 0.170104 K\n0.188459 0.358562 0.829896 K\n0.471334 0.141438 0.329896 K\n0.528666 0.858562 0.670104 K\n0.000000 0.750000 0.750000 Zn\n0.000000 0.250000 0.250000 Zn\n0.705504 0.395089 0.310415 Se\n0.294496 0.604911 0.689585 Se\n0.084673 0.895089 0.189585 Se\n0.915327 0.104911 0.810415 Se\n","nsites":10,"nelements":3,"elements":["K","Zn","Se"],"chemical_system":"K-Se-Zn","density":3.2711853666493402,"density_atomic":0.032666444800743745,"volume":306.12452812043756,"volume_molar":18.435249984298533,"formula_full":"K4 Zn2 Se4","formula_reduced":"K2ZnSe2","formula_anonymous":"AB2C2","energy":-33.26145926,"energy_per_atom":-3.326145926,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37345926,"band_gap":2.3191,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002654,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.781000Z","spacegroup":72},{"id":"mp-1212502","created_at":"2022-09-04T14:39:17.795237Z","structure_string":"Hf2 Si1 S2\n1.0\n2.932697 0.000000 0.000000\n0.000000 2.932697 0.000000\n0.000000 0.000000 13.888650\nHf Si S\n2 1 2\ndirect\n0.500000 0.500000 0.199193 Hf\n0.500000 0.500000 0.800807 Hf\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.630059 S\n0.500000 0.500000 0.369941 S\n","nsites":5,"nelements":3,"elements":["Hf","Si","S"],"chemical_system":"Hf-S-Si","density":6.244390737841107,"density_atomic":0.04185772118900874,"volume":119.45227446622037,"volume_molar":14.387168218754661,"formula_full":"Hf2 Si1 S2","formula_reduced":"Hf2SiS2","formula_anonymous":"AB2C2","energy":-32.30787095,"energy_per_atom":-6.46157419,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37287095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036277,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.089000Z","spacegroup":123},{"id":"mp-753192","created_at":"2022-09-04T14:39:40.790462Z","structure_string":"Yb4 Sb2 O1\n1.0\n-2.324002 2.324002 8.094657\n2.324002 -2.324002 8.094657\n2.324002 2.324002 -8.094657\nYb Sb O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Yb\n0.663119 0.663119 0.000000 Yb\n0.336881 0.336881 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.139332 0.139332 0.000000 Sb\n0.860668 0.860668 0.000000 Sb\n0.500000 0.500000 0.000000 O\n","nsites":7,"nelements":3,"elements":["Yb","Sb","O"],"chemical_system":"O-Sb-Yb","density":9.03666804409514,"density_atomic":0.040028249941334096,"volume":174.87649373278342,"volume_molar":15.044726583915423,"formula_full":"Yb4 Sb2 O1","formula_reduced":"Yb4Sb2O","formula_anonymous":"AB2C4","energy":-32.44336409,"energy_per_atom":-4.634766298571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37236409,"band_gap":0.6339999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.57e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.778000Z","spacegroup":139},{"id":"mp-1186546","created_at":"2022-09-04T14:45:08.290062Z","structure_string":"Pm6 Zn2\n1.0\n3.515183 -6.088475 0.000000\n3.515183 6.088475 0.000000\n0.000000 0.000000 5.338519\nPm Zn\n6 2\ndirect\n0.176529 0.353058 0.250000 Pm\n0.646942 0.823471 0.250000 Pm\n0.176529 0.823471 0.250000 Pm\n0.823471 0.646942 0.750000 Pm\n0.353058 0.176529 0.750000 Pm\n0.823471 0.176529 0.750000 Pm\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n","nsites":8,"nelements":2,"elements":["Pm","Zn"],"chemical_system":"Pm-Zn","density":7.272721386923515,"density_atomic":0.03500924397079289,"volume":228.5110757225762,"volume_molar":17.201573290254657,"formula_full":"Pm6 Zn2","formula_reduced":"Pm3Zn","formula_anonymous":"AB3","energy":-31.37206893,"energy_per_atom":-3.92150861625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37206893,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.02132,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.040000Z","spacegroup":194},{"id":"mp-1222005","created_at":"2022-09-04T14:42:00.377769Z","structure_string":"Mn3 Ge1\n1.0\n8.097115 -1.344624 0.000000\n8.097115 1.344624 0.000000\n7.873824 0.000000 2.318228\nMn Ge\n3 1\ndirect\n0.247286 0.247286 0.247286 Mn\n0.500000 0.500000 0.500000 Mn\n0.752714 0.752714 0.752714 Mn\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":2,"elements":["Mn","Ge"],"chemical_system":"Ge-Mn","density":7.811087907185562,"density_atomic":0.07923967444418031,"volume":50.479763174920215,"volume_molar":7.599905984270851,"formula_full":"Mn3 Ge1","formula_reduced":"Mn3Ge","formula_anonymous":"AB3","energy":-31.37076148,"energy_per_atom":-7.84269037,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37076148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1117958,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.083000Z","spacegroup":166},{"id":"mp-1183133","created_at":"2022-09-04T14:48:07.595227Z","structure_string":"Al1 Ir1 O3\n1.0\n3.664087 0.000000 0.000000\n0.000000 3.664087 0.000000\n0.000000 0.000000 3.664087\nAl Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Al","Ir","O"],"chemical_system":"Al-Ir-O","density":9.019509478935857,"density_atomic":0.10164187626629342,"volume":49.1923229250551,"volume_molar":5.924861859321136,"formula_full":"Al1 Ir1 O3","formula_reduced":"AlIrO3","formula_anonymous":"ABC3","energy":-33.43165328,"energy_per_atom":-6.686330656,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37065328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0371911,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.746000Z","spacegroup":221},{"id":"mp-1147556","created_at":"2022-09-04T14:44:01.801194Z","structure_string":"Sr2 Cu1 Br2 O2\n1.0\n4.935973 0.000000 0.000000\n0.000000 4.935973 0.000000\n0.000000 0.000000 6.571782\nSr Cu Br O\n2 1 2 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n","nsites":7,"nelements":4,"elements":["Sr","Cu","Br","O"],"chemical_system":"Br-Cu-O-Sr","density":4.465675500375288,"density_atomic":0.043718911516230474,"volume":160.1137758748014,"volume_molar":13.774681370473514,"formula_full":"Sr2 Cu1 Br2 O2","formula_reduced":"Sr2Cu(BrO)2","formula_anonymous":"AB2C2D2","energy":-33.81229789,"energy_per_atom":-4.830328270000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37029789,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028418,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.834000Z","spacegroup":123},{"id":"mp-11085","created_at":"2022-09-04T14:41:14.173393Z","structure_string":"Yb4 Cd4 Au4\n1.0\n4.436195 0.000000 0.000000\n0.000000 7.229953 0.000000\n0.000000 0.000000 8.840482\nYb Cd Au\n4 4 4\ndirect\n0.750000 0.952804 0.681315 Yb\n0.250000 0.547196 0.181315 Yb\n0.750000 0.452804 0.818685 Yb\n0.250000 0.047196 0.318685 Yb\n0.250000 0.142711 0.943917 Cd\n0.250000 0.642711 0.556083 Cd\n0.750000 0.857289 0.056083 Cd\n0.750000 0.357289 0.443917 Cd\n0.250000 0.240991 0.631301 Au\n0.250000 0.740991 0.868699 Au\n0.750000 0.259009 0.131301 Au\n0.750000 0.759009 0.368699 Au\n","nsites":12,"nelements":3,"elements":["Yb","Cd","Au"],"chemical_system":"Au-Cd-Yb","density":11.300825225643052,"density_atomic":0.042321319501839885,"volume":283.5450345417115,"volume_molar":14.229567581743742,"formula_full":"Yb4 Cd4 Au4","formula_reduced":"YbCdAu","formula_anonymous":"ABC","energy":-31.3696836,"energy_per_atom":-2.6141403,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.3696836,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.29e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.240000Z","spacegroup":62},{"id":"mp-1026621","created_at":"2022-09-04T14:46:23.921203Z","structure_string":"Mg14 Sn1 Sb1\n1.0\n6.391362 -0.000000 0.000000\n-3.195681 5.535081 0.000000\n-0.000000 0.000000 10.381059\nMg Sn Sb\n14 1 1\ndirect\n0.166278 0.833139 0.125000 Mg\n0.165501 0.832750 0.625000 Mg\n0.666861 0.333722 0.125000 Mg\n0.667250 0.334499 0.625000 Mg\n0.666861 0.833139 0.125000 Mg\n0.667250 0.832750 0.625000 Mg\n0.335509 0.164491 0.375051 Mg\n0.335509 0.164491 0.874949 Mg\n0.335509 0.671020 0.375051 Mg\n0.335509 0.671020 0.874949 Mg\n0.828980 0.164491 0.375051 Mg\n0.828980 0.164491 0.874949 Mg\n0.833333 0.666667 0.375684 Mg\n0.833333 0.666667 0.874316 Mg\n0.166667 0.333333 0.125000 Sn\n0.166667 0.333333 0.625000 Sb\n","nsites":16,"nelements":3,"elements":["Mg","Sn","Sb"],"chemical_system":"Mg-Sb-Sn","density":2.6258612931025485,"density_atomic":0.04356732810900274,"volume":367.2476760559885,"volume_molar":13.822607493700279,"formula_full":"Mg14 Sn1 Sb1","formula_reduced":"Mg14SnSb","formula_anonymous":"ABC14","energy":-31.56005035,"energy_per_atom":-1.972503146875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.36805035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001444,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.736000Z","spacegroup":187},{"id":"mp-1025467","created_at":"2022-09-04T14:39:24.949342Z","structure_string":"Cu2 Sn1 Hg1 S4\n1.0\n-2.809066 2.809066 5.540103\n2.809066 -2.809066 5.540103\n2.809066 2.809066 -5.540103\nCu Sn Hg S\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.882091 0.400793 0.000000 S\n0.400793 0.882091 0.000000 S\n0.599207 0.599207 0.481298 S\n0.117909 0.117909 0.518702 S\n","nsites":8,"nelements":4,"elements":["Cu","Sn","Hg","S"],"chemical_system":"Cu-Hg-S-Sn","density":5.456979259530081,"density_atomic":0.0457497020619747,"volume":174.86452674954742,"volume_molar":13.163234925206996,"formula_full":"Cu2 Sn1 Hg1 S4","formula_reduced":"Cu2SnHgS4","formula_anonymous":"ABC2D4","energy":-33.37794003,"energy_per_atom":-4.17224250375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.36594003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001098,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.103000Z","spacegroup":121}]}