{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=77","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=75","results":[{"id":"mp-1212766","created_at":"2022-09-04T14:41:58.641016Z","structure_string":"K1 Tl3 O6\n1.0\n4.833982 -7.750833 0.000000\n4.833982 7.750833 0.000000\n0.000000 0.000000 37.673880\nK Tl O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.238360 O\n0.000000 0.000000 0.761640 O\n0.303009 0.027076 0.000000 O\n0.696991 0.972924 0.000000 O\n0.027076 0.303009 0.000000 O\n0.972924 0.696991 0.000000 O\n","nsites":10,"nelements":3,"elements":["K","Tl","O"],"chemical_system":"K-O-Tl","density":0.44011780099483083,"density_atomic":0.0035422258302812725,"volume":2823.083699100558,"volume_molar":170.01007413245048,"formula_full":"K1 Tl3 O6","formula_reduced":"KTl3O6","formula_anonymous":"AB3C6","energy":-35.88096894,"energy_per_atom":-3.5880968940000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.758968940000003,"band_gap":0.0688000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4200638,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.566000Z","spacegroup":65},{"id":"mp-1096425","created_at":"2022-09-04T14:44:22.844961Z","structure_string":"Mg1 Sc2 Au1\n1.0\n-5.803226 5.865522 8.291775\n5.803226 -5.865522 8.291775\n5.803226 5.865522 -8.291775\nMg Sc Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.277812 0.277812 Sc\n0.000000 0.722188 0.722188 Sc\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Mg","Sc","Au"],"chemical_system":"Au-Mg-Sc","density":0.4577009955495667,"density_atomic":0.003543042314143231,"volume":1128.9732510483068,"volume_molar":169.970895802193,"formula_full":"Mg1 Sc2 Au1","formula_reduced":"MgSc2Au","formula_anonymous":"ABC2","energy":-9.94409323,"energy_per_atom":-2.4860233075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.94409323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000569,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.943000Z","spacegroup":71},{"id":"mp-1096228","created_at":"2022-09-04T14:39:46.917744Z","structure_string":"Ti2 Fe1 Ru1\n1.0\n-4.445644 6.738930 9.417900\n4.445644 -6.738930 9.417900\n4.445644 6.738930 -9.417900\nTi Fe Ru\n2 1 1\ndirect\n0.000000 0.254206 0.254206 Ti\n0.000000 0.745794 0.745794 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Ti","Fe","Ru"],"chemical_system":"Fe-Ru-Ti","density":0.3717294658414613,"density_atomic":0.0035442169471646546,"volume":1128.5990839810097,"volume_molar":169.91456363351756,"formula_full":"Ti2 Fe1 Ru1","formula_reduced":"Ti2FeRu","formula_anonymous":"ABC2","energy":-21.24577244,"energy_per_atom":-5.31144311,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.24577244,"band_gap":0.1665000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0053342,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.518000Z","spacegroup":71},{"id":"mp-1093962","created_at":"2022-09-04T14:39:32.803239Z","structure_string":"Nb2 Tc1 Ni1\n1.0\n-4.670366 6.442851 9.372983\n4.670366 -6.442851 9.372983\n4.670366 6.442851 -9.372983\nNb Tc Ni\n2 1 1\ndirect\n0.000000 0.254978 0.254978 Nb\n0.000000 0.745022 0.745022 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n","nsites":4,"nelements":3,"elements":["Nb","Tc","Ni"],"chemical_system":"Nb-Ni-Tc","density":0.50413942267771,"density_atomic":0.0035456279876303325,"volume":1128.149939574834,"volume_molar":169.84694336262862,"formula_full":"Nb2 Tc1 Ni1","formula_reduced":"Nb2TcNi","formula_anonymous":"ABC2","energy":-21.18488535,"energy_per_atom":-5.2962213375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.18488535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.980155,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.893000Z","spacegroup":71},{"id":"mp-1097242","created_at":"2022-09-04T14:41:52.981157Z","structure_string":"Y1 Sc1 Au2\n1.0\n-5.434373 5.972043 8.685640\n5.434373 -5.972043 8.685640\n5.434373 5.972043 -8.685640\nY Sc Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243921 0.243921 Au\n0.000000 0.756079 0.756079 Au\n","nsites":4,"nelements":3,"elements":["Y","Sc","Au"],"chemical_system":"Au-Sc-Y","density":0.7772846669487506,"density_atomic":0.0035475277813959336,"volume":1127.545785822154,"volume_molar":169.7559858891456,"formula_full":"Y1 Sc1 Au2","formula_reduced":"YScAu2","formula_anonymous":"ABC2","energy":-13.21545812,"energy_per_atom":-3.30386453,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.21545812,"band_gap":0.1025,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0033795,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.235000Z","spacegroup":71},{"id":"mp-1097420","created_at":"2022-09-04T14:47:26.387582Z","structure_string":"Y1 Al1 Au2\n1.0\n-5.438411 6.047969 8.570149\n5.438411 -6.047969 8.570149\n5.438411 6.047969 -8.570149\nY Al Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.231467 0.231467 Au\n0.000000 0.768533 0.768533 Au\n","nsites":4,"nelements":3,"elements":["Y","Al","Au"],"chemical_system":"Al-Au-Y","density":0.7508210995563096,"density_atomic":0.003547562416776666,"volume":1127.5347774245565,"volume_molar":169.75432853614873,"formula_full":"Y1 Al1 Au2","formula_reduced":"YAlAu2","formula_anonymous":"ABC2","energy":-11.68398952,"energy_per_atom":-2.92099738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.68398952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.176432,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.557000Z","spacegroup":71},{"id":"mp-1097223","created_at":"2022-09-04T14:45:57.406408Z","structure_string":"Y1 Zn1 Au2\n1.0\n-5.474064 6.046891 8.501468\n5.474064 -6.046891 8.501468\n5.474064 6.046891 -8.501468\nY Zn Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.249739 0.249739 Au\n0.000000 0.750261 0.750261 Au\n","nsites":4,"nelements":3,"elements":["Y","Zn","Au"],"chemical_system":"Au-Y-Zn","density":0.8087796539577639,"density_atomic":0.003553563371501814,"volume":1125.630692864079,"volume_molar":169.4676619050953,"formula_full":"Y1 Zn1 Au2","formula_reduced":"YZnAu2","formula_anonymous":"ABC2","energy":-10.07306525,"energy_per_atom":-2.5182663125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.07306525,"band_gap":0.4216999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999931,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.677000Z","spacegroup":71},{"id":"mp-1093906","created_at":"2022-09-04T14:41:29.708647Z","structure_string":"La1 Bi1 Pd2\n1.0\n-4.988327 6.320012 8.925653\n4.988327 -6.320012 8.925653\n4.988327 6.320012 -8.925653\nLa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Bi\n0.000000 0.234421 0.234421 Pd\n0.000000 0.765579 0.765579 Pd\n","nsites":4,"nelements":3,"elements":["La","Bi","Pd"],"chemical_system":"Bi-La-Pd","density":0.8272311557042111,"density_atomic":0.003553752540384703,"volume":1125.5707747076249,"volume_molar":169.45864101578914,"formula_full":"La1 Bi1 Pd2","formula_reduced":"LaBiPd2","formula_anonymous":"ABC2","energy":-15.26672296,"energy_per_atom":-3.81668074,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.26672296,"band_gap":0.294,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.846000Z","spacegroup":71},{"id":"mp-1095926","created_at":"2022-09-04T14:45:25.324088Z","structure_string":"La1 Y1 Au2\n1.0\n-5.506092 6.177863 8.272333\n5.506092 -6.177863 8.272333\n5.506092 6.177863 -8.272333\nLa Y Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250329 0.250329 Au\n0.000000 0.749671 0.749671 Au\n","nsites":4,"nelements":3,"elements":["La","Y","Au"],"chemical_system":"Au-La-Y","density":0.9172575257288887,"density_atomic":0.0035537776743754207,"volume":1125.56281414059,"volume_molar":169.4574425244088,"formula_full":"La1 Y1 Au2","formula_reduced":"LaYAu2","formula_anonymous":"ABC2","energy":-12.19626079,"energy_per_atom":-3.0490651975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.19626079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5736314,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.395000Z","spacegroup":71},{"id":"mp-1093693","created_at":"2022-09-04T14:46:34.374204Z","structure_string":"Hf1 Tl1 Au2\n1.0\n-5.558825 5.972419 8.464410\n5.558825 -5.972419 8.464410\n5.558825 5.972419 -8.464410\nHf Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237882 0.237882 Au\n0.000000 0.762118 0.762118 Au\n","nsites":4,"nelements":3,"elements":["Hf","Tl","Au"],"chemical_system":"Au-Hf-Tl","density":1.1475509064434095,"density_atomic":0.003558525136866076,"volume":1124.0611900026431,"volume_molar":169.23136772622556,"formula_full":"Hf1 Tl1 Au2","formula_reduced":"HfTlAu2","formula_anonymous":"ABC2","energy":-12.39510323,"energy_per_atom":-3.0987758075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.39510323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999267,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.501000Z","spacegroup":71},{"id":"mp-1095967","created_at":"2022-09-04T14:48:13.675624Z","structure_string":"La2 Ag1 Os1\n1.0\n-5.470336 5.942797 8.642331\n5.470336 -5.942797 8.642331\n5.470336 5.942797 -8.642331\nLa Ag Os\n2 1 1\ndirect\n0.000000 0.280699 0.280699 La\n0.000000 0.719301 0.719301 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["La","Ag","Os"],"chemical_system":"Ag-La-Os","density":0.8509563503368082,"density_atomic":0.0035592968183245552,"volume":1123.8174853545634,"volume_molar":169.1946771338605,"formula_full":"La2 Ag1 Os1","formula_reduced":"La2AgOs","formula_anonymous":"ABC2","energy":-16.47263943,"energy_per_atom":-4.1181598575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.47263943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999917,"is_theoretical":true,"updated_at":"2021-11-28T01:38:41.882000Z","spacegroup":71},{"id":"mp-1096259","created_at":"2022-09-04T14:41:45.753162Z","structure_string":"Zr2 Hg1 Au1\n1.0\n-5.690312 5.948085 8.298786\n5.690312 -5.948085 8.298786\n5.690312 5.948085 -8.298786\nZr Hg Au\n2 1 1\ndirect\n0.000000 0.230362 0.230362 Zr\n0.000000 0.769638 0.769638 Zr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Hg","Au"],"chemical_system":"Au-Hg-Zr","density":0.8572208183772435,"density_atomic":0.003560181907776756,"volume":1123.5380954165623,"volume_molar":169.15261399552122,"formula_full":"Zr2 Hg1 Au1","formula_reduced":"Zr2HgAu","formula_anonymous":"ABC2","energy":-10.90616474,"energy_per_atom":-2.726541185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.90616474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.7397218,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.125000Z","spacegroup":71}]}