{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=114","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=112","results":[{"id":"mp-1210689","created_at":"2022-09-04T14:43:19.996938Z","structure_string":"Mg1 H6 Cl2\n1.0\n5.542126 6.183287 0.000000\n-5.542126 6.183287 0.000000\n0.000000 0.057059 3.774271\nMg H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.249705 0.249705 0.609708 H\n0.750295 0.750295 0.390292 H\n0.737029 0.245460 0.405012 H\n0.262971 0.754540 0.594988 H\n0.754540 0.262971 0.594988 H\n0.245460 0.737029 0.405012 H\n0.318141 0.318141 0.865351 Cl\n0.681859 0.681859 0.134649 Cl\n","nsites":9,"nelements":3,"elements":["Mg","H","Cl"],"chemical_system":"Cl-H-Mg","density":0.6500134028504779,"density_atomic":0.03479233957995514,"volume":258.6776315894881,"volume_molar":17.30881232105911,"formula_full":"Mg1 H6 Cl2","formula_reduced":"Mg(H3Cl)2","formula_anonymous":"AB2C6","energy":-27.3580484,"energy_per_atom":-3.039783155555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.1300484,"band_gap":1.3822,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007504,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.784000Z","spacegroup":12},{"id":"mp-1096249","created_at":"2022-09-04T14:39:19.814714Z","structure_string":"In1 Ga2 Sn1\n1.0\n-5.306433 5.676599 7.904280\n5.306433 -5.676599 7.904280\n5.306433 5.676599 -7.904280\nIn Ga Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.261863 0.261863 Ga\n0.000000 0.738137 0.738137 Ga\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["In","Ga","Sn"],"chemical_system":"Ga-In-Sn","density":0.6503010371293553,"density_atomic":0.00419997574449728,"volume":952.386452526712,"volume_molar":143.38513187582294,"formula_full":"In1 Ga2 Sn1","formula_reduced":"InGa2Sn","formula_anonymous":"ABC2","energy":-8.01972193,"energy_per_atom":-2.0049304825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.01972193,"band_gap":0.0430999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0252249,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.343000Z","spacegroup":71},{"id":"mp-1093968","created_at":"2022-09-04T14:46:54.393238Z","structure_string":"Y2 Zn1 Pt1\n1.0\n-5.620047 5.934433 8.382052\n5.620047 -5.934433 8.382052\n5.620047 5.934433 -8.382052\nY Zn Pt\n2 1 1\ndirect\n0.000000 0.276356 0.276356 Y\n0.000000 0.723644 0.723644 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Y","Zn","Pt"],"chemical_system":"Pt-Y-Zn","density":0.6508721731999433,"density_atomic":0.0035770949708106735,"volume":1118.225832034167,"volume_molar":168.35283404944678,"formula_full":"Y2 Zn1 Pt1","formula_reduced":"Y2ZnPt","formula_anonymous":"ABC2","energy":-13.37999252,"energy_per_atom":-3.34499813,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.37999252,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1114291,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.201000Z","spacegroup":71},{"id":"mp-1096353","created_at":"2022-09-04T14:44:00.039123Z","structure_string":"Mn1 V2 Tc1\n1.0\n-4.720688 5.044778 6.821969\n4.720688 -5.044778 6.821969\n4.720688 5.044778 -6.821969\nMn V Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.288555 0.000000 0.288555 V\n0.711445 0.000000 0.711445 V\n0.500000 0.000000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Mn","V","Tc"],"chemical_system":"Mn-Tc-V","density":0.6511293914748638,"density_atomic":0.006155210374857154,"volume":649.8559360926521,"volume_molar":97.83809802178787,"formula_full":"Mn1 V2 Tc1","formula_reduced":"MnV2Tc","formula_anonymous":"ABC2","energy":-23.74520669,"energy_per_atom":-5.9363016725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.74520669,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.298569,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.938000Z","spacegroup":71},{"id":"mp-1096534","created_at":"2022-09-04T14:44:24.183616Z","structure_string":"Y1 Zr1 Pd2\n1.0\n-5.070485 5.918497 8.347431\n5.070485 -5.918497 8.347431\n5.070485 5.918497 -8.347431\nY Zr Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.245463 0.245463 Pd\n0.000000 0.754537 0.754537 Pd\n","nsites":4,"nelements":3,"elements":["Y","Zr","Pd"],"chemical_system":"Pd-Y-Zr","density":0.6512302495633532,"density_atomic":0.003991960432990706,"volume":1002.0139395528205,"volume_molar":150.85672468673042,"formula_full":"Y1 Zr1 Pd2","formula_reduced":"YZrPd2","formula_anonymous":"ABC2","energy":-17.12108511,"energy_per_atom":-4.2802712775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.12108511,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0001869,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.106000Z","spacegroup":71},{"id":"mp-1096427","created_at":"2022-09-04T14:41:27.511038Z","structure_string":"Ga1 Si1 Tc2\n1.0\n-4.826597 5.239461 7.405284\n4.826597 -5.239461 7.405284\n4.826597 5.239461 -7.405284\nGa Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.000000 0.236684 0.236684 Tc\n0.000000 0.763316 0.763316 Tc\n","nsites":4,"nelements":3,"elements":["Ga","Si","Tc"],"chemical_system":"Ga-Si-Tc","density":0.6513045207316063,"density_atomic":0.00533986934050651,"volume":749.0819990027289,"volume_molar":112.77693096941533,"formula_full":"Ga1 Si1 Tc2","formula_reduced":"GaSiTc2","formula_anonymous":"ABC2","energy":-18.00246552,"energy_per_atom":-4.50061638,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.00246552,"band_gap":0.3658000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9391467,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.851000Z","spacegroup":71},{"id":"mp-1096301","created_at":"2022-09-04T14:43:56.160369Z","structure_string":"Mg1 Ag1 Pd2\n1.0\n-5.115267 5.511502 7.791353\n5.115267 -5.511502 7.791353\n5.115267 5.511502 -7.791353\nMg Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.239693 0.239693 Pd\n0.000000 0.760307 0.760307 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Ag","Pd"],"chemical_system":"Ag-Mg-Pd","density":0.6520391302415862,"density_atomic":0.004552488339228503,"volume":878.6403614770967,"volume_molar":132.28239835580894,"formula_full":"Mg1 Ag1 Pd2","formula_reduced":"MgAgPd2","formula_anonymous":"ABC2","energy":-8.16223618,"energy_per_atom":-2.040559045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.16223618,"band_gap":0.0836000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.000007,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.156000Z","spacegroup":71},{"id":"mp-1097477","created_at":"2022-09-04T14:43:37.753523Z","structure_string":"Sc1 Ge1 Pd2\n1.0\n-4.680240 5.601958 8.023091\n4.680240 -5.601958 8.023091\n4.680240 5.601958 -8.023091\nSc Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ge\n0.000000 0.244295 0.244295 Pd\n0.000000 0.755705 0.755705 Pd\n","nsites":4,"nelements":3,"elements":["Sc","Ge","Pd"],"chemical_system":"Ge-Pd-Sc","density":0.6521187031573739,"density_atomic":0.0047539029280806505,"volume":841.413899382032,"volume_molar":126.67782348747683,"formula_full":"Sc1 Ge1 Pd2","formula_reduced":"ScGePd2","formula_anonymous":"ABC2","energy":-15.42387755,"energy_per_atom":-3.8559693875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.42387755,"band_gap":0.2684999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6664399,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.656000Z","spacegroup":71},{"id":"mp-1096477","created_at":"2022-09-04T14:45:29.132629Z","structure_string":"Y2 Tl1 Pb1\n1.0\n-5.892901 6.654840 9.566712\n5.892901 -6.654840 9.566712\n5.892901 6.654840 -9.566712\nY Tl Pb\n2 1 1\ndirect\n0.000000 0.257122 0.257122 Y\n0.000000 0.742878 0.742878 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Y","Tl","Pb"],"chemical_system":"Pb-Tl-Y","density":0.6521779180366645,"density_atomic":0.0026654499779182376,"volume":1500.6846998209544,"volume_molar":225.93336246750334,"formula_full":"Y2 Tl1 Pb1","formula_reduced":"Y2TlPb","formula_anonymous":"ABC2","energy":-11.73139285,"energy_per_atom":-2.9328482125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.73139285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9619088,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.736000Z","spacegroup":71},{"id":"mp-1093754","created_at":"2022-09-04T14:47:10.613943Z","structure_string":"Y1 Sc1 Ru2\n1.0\n-4.600800 5.749450 8.072798\n4.600800 -5.749450 8.072798\n4.600800 5.749450 -8.072798\nY Sc Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242026 0.242026 Ru\n0.000000 0.757974 0.757974 Ru\n","nsites":4,"nelements":3,"elements":["Y","Sc","Ru"],"chemical_system":"Ru-Sc-Y","density":0.6532011179073113,"density_atomic":0.004682914821127132,"volume":854.1688569593156,"volume_molar":128.5981272354326,"formula_full":"Y1 Sc1 Ru2","formula_reduced":"YScRu2","formula_anonymous":"ABC2","energy":-20.89995973,"energy_per_atom":-5.2249899325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.89995973,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0914774,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.645000Z","spacegroup":71},{"id":"mp-1192133","created_at":"2022-09-04T14:39:09.320180Z","structure_string":"Li4 B4 H16\n1.0\n4.402347 0.000000 0.000000\n0.000000 5.837298 0.000000\n0.000000 0.000000 8.613664\nLi B H\n4 4 16\ndirect\n0.750000 0.919260 0.855891 Li\n0.750000 0.580740 0.355891 Li\n0.250000 0.080740 0.144109 Li\n0.250000 0.419260 0.644109 Li\n0.250000 0.348573 0.363743 B\n0.250000 0.151427 0.863743 B\n0.750000 0.651427 0.636257 B\n0.750000 0.848573 0.136257 B\n0.476691 0.318497 0.283216 H\n0.023309 0.181503 0.783216 H\n0.976691 0.681503 0.716784 H\n0.523309 0.818497 0.216784 H\n0.523309 0.681503 0.716784 H\n0.976691 0.818497 0.216784 H\n0.023309 0.318497 0.283216 H\n0.476691 0.181503 0.783216 H\n0.250000 0.208717 0.469452 H\n0.250000 0.291283 0.969452 H\n0.750000 0.791283 0.530548 H\n0.750000 0.708717 0.030548 H\n0.250000 0.547448 0.410959 H\n0.250000 0.952552 0.910959 H\n0.750000 0.452552 0.589041 H\n0.750000 0.047448 0.089041 H\n","nsites":24,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":0.6536689696983925,"density_atomic":0.10842443767269544,"volume":221.35231240441956,"volume_molar":5.554228261878787,"formula_full":"Li4 B4 H16","formula_reduced":"LiBH4","formula_anonymous":"ABC4","energy":-99.44191342,"energy_per_atom":-4.143413059166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.57791342,"band_gap":6.3705,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019861,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.830000Z","spacegroup":62},{"id":"mp-1097492","created_at":"2022-09-04T14:42:08.005232Z","structure_string":"Sr2 Pd1 Pt1\n1.0\n-5.435779 6.275193 8.874172\n5.435779 -6.275193 8.874172\n5.435779 6.275193 -8.874172\nSr Pd Pt\n2 1 1\ndirect\n0.000000 0.251289 0.251289 Sr\n0.000000 0.748711 0.748711 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Sr","Pd","Pt"],"chemical_system":"Pd-Pt-Sr","density":0.6538191265503867,"density_atomic":0.0033035682152495758,"volume":1210.8119885448803,"volume_molar":182.29200572281943,"formula_full":"Sr2 Pd1 Pt1","formula_reduced":"Sr2PdPt","formula_anonymous":"ABC2","energy":-11.52522048,"energy_per_atom":-2.88130512,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.52522048,"band_gap":1.0858,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.528000Z","spacegroup":71}]}