{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=113","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=111","results":[{"id":"mp-1093860","created_at":"2022-09-04T14:46:10.828680Z","structure_string":"Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Ga","Ag"],"chemical_system":"Ag-Ga-Li","density":0.350306601953431,"density_atomic":0.004407082906328162,"volume":907.6298506334816,"volume_molar":136.64686796231504,"formula_full":"Li2 Ga1 Ag1","formula_reduced":"Li2GaAg","formula_anonymous":"ABC2","energy":-5.81697282,"energy_per_atom":-1.454243205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.81697282,"band_gap":0.7193,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001269,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.181000Z","spacegroup":71},{"id":"mp-1093776","created_at":"2022-09-04T14:46:23.513270Z","structure_string":"Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Cu"],"chemical_system":"Cu-Mg-Zn","density":0.3248651609008015,"density_atomic":0.004407138180701736,"volume":907.618467130316,"volume_molar":136.6451541358549,"formula_full":"Mg2 Zn1 Cu1","formula_reduced":"Mg2ZnCu","formula_anonymous":"ABC2","energy":-3.7478223,"energy_per_atom":-0.936955575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.7478223,"band_gap":0.7677,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.858000Z","spacegroup":71},{"id":"mp-1097662","created_at":"2022-09-04T14:48:10.013994Z","structure_string":"Nb1 In1 Tc2\n1.0\n-4.974857 5.723510 7.965897\n4.974857 -5.723510 7.965897\n4.974857 5.723510 -7.965897\nNb In Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n0.000000 0.223861 0.223861 Tc\n0.000000 0.776139 0.776139 Tc\n","nsites":4,"nelements":3,"elements":["Nb","In","Tc"],"chemical_system":"In-Nb-Tc","density":0.7389181736837787,"density_atomic":0.004408818960681663,"volume":907.2724545218218,"volume_molar":136.59306072002775,"formula_full":"Nb1 In1 Tc2","formula_reduced":"NbInTc2","formula_anonymous":"ABC2","energy":-20.54256467,"energy_per_atom":-5.1356411675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.54256467,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0646315,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.603000Z","spacegroup":71},{"id":"mp-1179684","created_at":"2022-09-04T14:44:02.345536Z","structure_string":"Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n","nsites":2,"nelements":2,"elements":["Rb","S"],"chemical_system":"Rb-S","density":0.43026736970699225,"density_atomic":0.004409204350965699,"volume":453.5965767977985,"volume_molar":136.58112168652465,"formula_full":"Rb1 S1","formula_reduced":"RbS","formula_anonymous":"AB","energy":-5.44195915,"energy_per_atom":-2.720979575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.93895915,"band_gap":0.3290999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000168,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.706000Z","spacegroup":12},{"id":"mp-1096374","created_at":"2022-09-04T14:43:41.228918Z","structure_string":"Tl1 Cu1 Pd2\n1.0\n-4.950188 5.695512 8.044062\n4.950188 -5.695512 8.044062\n4.950188 5.695512 -8.044062\nTl Cu Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.242132 0.242132 Pd\n0.000000 0.757868 0.757868 Pd\n","nsites":4,"nelements":3,"elements":["Tl","Cu","Pd"],"chemical_system":"Cu-Pd-Tl","density":0.8800269255944968,"density_atomic":0.004409304853992591,"volume":907.1724755837718,"volume_molar":136.5780085390784,"formula_full":"Tl1 Cu1 Pd2","formula_reduced":"TlCuPd2","formula_anonymous":"ABC2","energy":-10.3019208,"energy_per_atom":-2.5754802,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.3019208,"band_gap":0.4597000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.31e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.964000Z","spacegroup":71},{"id":"mp-1096065","created_at":"2022-09-04T14:39:23.356340Z","structure_string":"Hf2 Mn1 Re1\n1.0\n-4.926277 5.707865 8.064676\n4.926277 -5.707865 8.064676\n4.926277 5.707865 -8.064676\nHf Mn Re\n2 1 1\ndirect\n0.000000 0.264124 0.264124 Hf\n0.000000 0.735876 0.735876 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Re\n","nsites":4,"nelements":3,"elements":["Hf","Mn","Re"],"chemical_system":"Hf-Mn-Re","density":1.0949685583673117,"density_atomic":0.004409816872684869,"volume":907.0671448460043,"volume_molar":136.56215062584866,"formula_full":"Hf2 Mn1 Re1","formula_reduced":"Hf2MnRe","formula_anonymous":"ABC2","energy":-25.76579193,"energy_per_atom":-6.4414479825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.76579193,"band_gap":0.0745,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6979168,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.193000Z","spacegroup":71},{"id":"mp-1097596","created_at":"2022-09-04T14:47:03.637201Z","structure_string":"Sc2 Zn1 Rh1\n1.0\n-5.131934 5.608961 7.876625\n5.131934 -5.608961 7.876625\n5.131934 5.608961 -7.876625\nSc Zn Rh\n2 1 1\ndirect\n0.000000 0.283519 0.283519 Sc\n0.000000 0.716481 0.716481 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Rh"],"chemical_system":"Rh-Sc-Zn","density":0.47280925246494565,"density_atomic":0.00441058653951679,"volume":906.9088576228746,"volume_molar":136.53831992739376,"formula_full":"Sc2 Zn1 Rh1","formula_reduced":"Sc2ZnRh","formula_anonymous":"ABC2","energy":-13.97512358,"energy_per_atom":-3.493780895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.97512358,"band_gap":0.1286999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3334296,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.328000Z","spacegroup":71},{"id":"mp-1096225","created_at":"2022-09-04T14:43:23.811915Z","structure_string":"Y1 Sn1 Ru2\n1.0\n-4.927580 5.770676 7.972104\n4.927580 -5.770676 7.972104\n4.927580 5.770676 -7.972104\nY Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Sn\n0.000000 0.242779 0.242779 Ru\n0.000000 0.757221 0.757221 Ru\n","nsites":4,"nelements":3,"elements":["Y","Sn","Ru"],"chemical_system":"Ru-Sn-Y","density":0.7503794608100595,"density_atomic":0.004411300766515195,"volume":906.7620213889629,"volume_molar":136.51621321566162,"formula_full":"Y1 Sn1 Ru2","formula_reduced":"YSnRu2","formula_anonymous":"ABC2","energy":-18.16236768,"energy_per_atom":-4.54059192,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.16236768,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1264721,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.380000Z","spacegroup":71},{"id":"mp-1096624","created_at":"2022-09-04T14:40:26.049740Z","structure_string":"Li1 Sn2 Ir1\n1.0\n-5.305398 5.559124 7.681842\n5.305398 -5.559124 7.681842\n5.305398 5.559124 -7.681842\nLi Sn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.263504 0.263504 Sn\n0.000000 0.736496 0.736496 Sn\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Li","Sn","Ir"],"chemical_system":"Ir-Li-Sn","density":0.7999470700527492,"density_atomic":0.0044137761023890585,"volume":906.2534907094421,"volume_molar":136.4396521323403,"formula_full":"Li1 Sn2 Ir1","formula_reduced":"LiSn2Ir","formula_anonymous":"ABC2","energy":-11.61477067,"energy_per_atom":-2.9036926675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.61477067,"band_gap":0.2597,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6333839,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.154000Z","spacegroup":71},{"id":"mp-1093889","created_at":"2022-09-04T14:45:30.779851Z","structure_string":"Li2 Zn1 Ag1\n1.0\n-5.335764 5.479025 7.741923\n5.335764 -5.479025 7.741923\n5.335764 5.479025 -7.741923\nLi Zn Ag\n2 1 1\ndirect\n0.000000 0.257928 0.257928 Li\n0.000000 0.742072 0.742072 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Zn","Ag"],"chemical_system":"Ag-Li-Zn","density":0.34328240495637835,"density_atomic":0.004418259885259276,"volume":905.333797440317,"volume_molar":136.3011890742729,"formula_full":"Li2 Zn1 Ag1","formula_reduced":"Li2ZnAg","formula_anonymous":"ABC2","energy":-4.51333639,"energy_per_atom":-1.1283340975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.51333639,"band_gap":0.5495000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999716,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.399000Z","spacegroup":71},{"id":"mp-1097670","created_at":"2022-09-04T14:45:24.471370Z","structure_string":"Cd1 Pd2 Au1\n1.0\n-5.199549 5.552307 7.838015\n5.199549 -5.552307 7.838015\n5.199549 5.552307 -7.838015\nCd Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.253891 0.253891 Pd\n0.000000 0.746109 0.746109 Pd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Cd","Pd","Au"],"chemical_system":"Au-Cd-Pd","density":0.9580658232847826,"density_atomic":0.0044193130140821445,"volume":905.1180550583308,"volume_molar":136.26870829946745,"formula_full":"Cd1 Pd2 Au1","formula_reduced":"CdPd2Au","formula_anonymous":"ABC2","energy":-8.18899259,"energy_per_atom":-2.0472481475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.18899259,"band_gap":0.2452999999999994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001655,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.357000Z","spacegroup":71},{"id":"mp-1095805","created_at":"2022-09-04T14:47:32.944391Z","structure_string":"Zr2 Re1 Pt1\n1.0\n-4.886396 5.714210 8.100380\n4.886396 -5.714210 8.100380\n4.886396 5.714210 -8.100380\nZr Re Pt\n2 1 1\ndirect\n0.000000 0.240343 0.240343 Zr\n0.000000 0.759657 0.759657 Zr\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Zr","Re","Pt"],"chemical_system":"Pt-Re-Zr","density":1.034705928515051,"density_atomic":0.004421297620975299,"volume":904.7117708211724,"volume_molar":136.20754077784903,"formula_full":"Zr2 Re1 Pt1","formula_reduced":"Zr2RePt","formula_anonymous":"ABC2","energy":-23.14344888,"energy_per_atom":-5.78586222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.14344888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000315,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.825000Z","spacegroup":71}]}