{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12121","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12119","results":[{"id":"mp-1097360","created_at":"2022-09-04T14:39:12.014550Z","structure_string":"Ba2 Sb1 I1\n1.0\n-6.570421 6.712476 9.464604\n6.570421 -6.712476 9.464604\n6.570421 6.712476 -9.464604\nBa Sb I\n2 1 1\ndirect\n0.000000 0.234663 0.234663 Ba\n0.000000 0.765337 0.765337 Ba\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 I\n","nsites":4,"nelements":3,"elements":["Ba","Sb","I"],"chemical_system":"Ba-I-Sb","density":0.5204473212666996,"density_atomic":0.0023956402898725293,"volume":1669.6997528843688,"volume_molar":251.37917347017213,"formula_full":"Ba2 Sb1 I1","formula_reduced":"Ba2SbI","formula_anonymous":"ABC2","energy":-10.75172194,"energy_per_atom":-2.687930485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.18072194,"band_gap":0.8340000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003051,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.169000Z","spacegroup":71},{"id":"mp-1248716","created_at":"2022-09-04T14:41:52.074761Z","structure_string":"Al2 Os1 Pd1\n1.0\n-8.232173 -0.003125 -4.757951\n-9.601492 -0.592910 7.132116\n-5.662880 10.547170 0.310236\nAl Os Pd\n2 1 1\ndirect\n0.749568 0.000040 0.000040 Al\n0.250432 0.999960 0.999960 Al\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Al","Os","Pd"],"chemical_system":"Al-Os-Pd","density":0.5204355672422981,"density_atomic":0.0035756067840434272,"volume":1118.6912436374375,"volume_molar":168.42290340410256,"formula_full":"Al2 Os1 Pd1","formula_reduced":"Al2OsPd","formula_anonymous":"ABC2","energy":-14.75807907,"energy_per_atom":-3.6895197675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.75807907,"band_gap":0.3803999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0000026,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.666000Z","spacegroup":71},{"id":"mp-1096361","created_at":"2022-09-04T14:42:40.369276Z","structure_string":"Mn1 Si2 Tc1\n1.0\n-4.722668 4.998373 7.073366\n4.722668 -4.998373 7.073366\n4.722668 4.998373 -7.073366\nMn Si Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.251153 0.251153 Si\n0.000000 0.748847 0.748847 Si\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Mn","Si","Tc"],"chemical_system":"Mn-Si-Tc","density":0.519899878834146,"density_atomic":0.005989047967825872,"volume":667.8857844332927,"volume_molar":100.55255513650762,"formula_full":"Mn1 Si2 Tc1","formula_reduced":"MnSi2Tc","formula_anonymous":"ABC2","energy":-20.43157609,"energy_per_atom":-5.1078940225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.43157609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9102166,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.369000Z","spacegroup":71},{"id":"mp-1096160","created_at":"2022-09-04T14:45:59.545149Z","structure_string":"Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","In","Hg"],"chemical_system":"Hg-In-Sr","density":0.5195942102289478,"density_atomic":0.0025509689008503815,"volume":1568.0316599181492,"volume_molar":236.07268430408863,"formula_full":"Sr2 In1 Hg1","formula_reduced":"Sr2InHg","formula_anonymous":"ABC2","energy":-2.59934461,"energy_per_atom":-0.6498361525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59934461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998226,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.424000Z","spacegroup":71},{"id":"mp-1093611","created_at":"2022-09-04T14:39:12.441175Z","structure_string":"Li2 Cd1 Rh1\n1.0\n-4.400583 5.386036 7.728558\n4.400583 -5.386036 7.728558\n4.400583 5.386036 -7.728558\nLi Cd Rh\n2 1 1\ndirect\n0.778203 0.000000 0.778203 Li\n0.221797 0.000000 0.221797 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Cd","Rh"],"chemical_system":"Cd-Li-Rh","density":0.5194251072268911,"density_atomic":0.005459112709864014,"volume":732.7198049551974,"volume_molar":110.31354507699861,"formula_full":"Li2 Cd1 Rh1","formula_reduced":"Li2CdRh","formula_anonymous":"ABC2","energy":-6.44524085,"energy_per_atom":-1.6113102125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.44524085,"band_gap":0.1512000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.560000Z","spacegroup":71},{"id":"mp-1248407","created_at":"2022-09-04T14:47:57.468733Z","structure_string":"Al2 Ni1 Pt1\n1.0\n-8.051024 0.068749 -4.658197\n-9.226010 0.304786 6.708140\n-5.964923 10.283409 0.889141\nAl Ni Pt\n2 1 1\ndirect\n0.750460 0.000035 0.000049 Al\n0.249563 0.999965 0.999938 Al\n0.999977 0.999994 0.999999 Ni\n0.500002 0.000007 0.000014 Pt\n","nsites":4,"nelements":3,"elements":["Al","Ni","Pt"],"chemical_system":"Al-Ni-Pt","density":0.5190666617247884,"density_atomic":0.004063024182260834,"volume":984.4883565950709,"volume_molar":148.21818649991476,"formula_full":"Al2 Ni1 Pt1","formula_reduced":"Al2NiPt","formula_anonymous":"ABC2","energy":-12.87859851,"energy_per_atom":-3.2196496275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.87859851,"band_gap":0.5021,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4519516,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.722000Z","spacegroup":2},{"id":"mp-1093982","created_at":"2022-09-04T14:42:15.431099Z","structure_string":"Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n","nsites":4,"nelements":3,"elements":["Ti","Cd","Pd"],"chemical_system":"Cd-Pd-Ti","density":0.5190632484374981,"density_atomic":0.003351081369983435,"volume":1193.6445458558867,"volume_molar":179.70738681376062,"formula_full":"Ti1 Cd1 Pd2","formula_reduced":"TiCdPd2","formula_anonymous":"ABC2","energy":-13.19371494,"energy_per_atom":-3.298428735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.19371494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9278061,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.106000Z","spacegroup":71},{"id":"mp-1097461","created_at":"2022-09-04T14:40:02.642643Z","structure_string":"Zr1 Al1 Fe2\n1.0\n-4.556622 5.353902 7.537138\n4.556622 -5.353902 7.537138\n4.556622 5.353902 -7.537138\nZr Al Fe\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.263424 0.263424 Fe\n0.000000 0.736576 0.736576 Fe\n","nsites":4,"nelements":3,"elements":["Zr","Al","Fe"],"chemical_system":"Al-Fe-Zr","density":0.5190387262451697,"density_atomic":0.005438512272929688,"volume":735.4952603325153,"volume_molar":110.73139965088129,"formula_full":"Zr1 Al1 Fe2","formula_reduced":"ZrAlFe2","formula_anonymous":"ABC2","energy":-17.66606024,"energy_per_atom":-4.41651506,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.66606024,"band_gap":0.0239999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.1162199,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.363000Z","spacegroup":71},{"id":"mp-1093829","created_at":"2022-09-04T14:40:05.071979Z","structure_string":"Ca1 Y1 Pd2\n1.0\n-5.312662 6.036785 8.534989\n5.312662 -6.036785 8.534989\n5.312662 6.036785 -8.534989\nCa Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.267382 0.267382 Pd\n0.000000 0.732618 0.732618 Pd\n","nsites":4,"nelements":3,"elements":["Ca","Y","Pd"],"chemical_system":"Ca-Pd-Y","density":0.5184067011327166,"density_atomic":0.0036532478657967707,"volume":1094.91612585329,"volume_molar":164.84347575705968,"formula_full":"Ca1 Y1 Pd2","formula_reduced":"CaYPd2","formula_anonymous":"ABC2","energy":-14.17599708,"energy_per_atom":-3.54399927,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.17599708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001076,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.893000Z","spacegroup":71},{"id":"mp-1097206","created_at":"2022-09-04T14:47:16.508708Z","structure_string":"Sc2 Ag1 Sn1\n1.0\n-5.481252 5.680899 8.139391\n5.481252 -5.680899 8.139391\n5.481252 5.680899 -8.139391\nSc Ag Sn\n2 1 1\ndirect\n0.000000 0.255020 0.255020 Sc\n0.000000 0.744980 0.744980 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Sc","Ag","Sn"],"chemical_system":"Ag-Sc-Sn","density":0.518394496884579,"density_atomic":0.0039455836124896735,"volume":1013.7917207832253,"volume_molar":152.62991109698,"formula_full":"Sc2 Ag1 Sn1","formula_reduced":"Sc2AgSn","formula_anonymous":"ABC2","energy":-12.11729009,"energy_per_atom":-3.0293225225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.11729009,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.859000Z","spacegroup":71},{"id":"mp-1097584","created_at":"2022-09-04T14:41:25.909386Z","structure_string":"Y1 Ga1 Ag2\n1.0\n-5.616284 6.185913 8.645701\n5.616284 -6.185913 8.645701\n5.616284 6.185913 -8.645701\nY Ga Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.233413 0.233413 Ag\n0.000000 0.766587 0.766587 Ag\n","nsites":4,"nelements":3,"elements":["Y","Ga","Ag"],"chemical_system":"Ag-Ga-Y","density":0.5174061122000428,"density_atomic":0.003329253918551252,"volume":1201.4703888193148,"volume_molar":180.88559501104612,"formula_full":"Y1 Ga1 Ag2","formula_reduced":"YGaAg2","formula_anonymous":"ABC2","energy":-8.73236137,"energy_per_atom":-2.1830903425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.73236137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.402000Z","spacegroup":71},{"id":"mp-1093827","created_at":"2022-09-04T14:46:24.556704Z","structure_string":"Li1 Zr2 Ru1\n1.0\n-5.240927 5.627969 7.904926\n5.240927 -5.627969 7.904926\n5.240927 5.627969 -7.904926\nLi Zr Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.288173 0.288173 Zr\n0.000000 0.711827 0.711827 Zr\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Li","Zr","Ru"],"chemical_system":"Li-Ru-Zr","density":0.5171497607480341,"density_atomic":0.004288865078102225,"volume":932.6476648619487,"volume_molar":140.413387932099,"formula_full":"Li1 Zr2 Ru1","formula_reduced":"LiZr2Ru","formula_anonymous":"ABC2","energy":-16.63680719,"energy_per_atom":-4.1592017975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.63680719,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999514,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.370000Z","spacegroup":71}]}