{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=97","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=95","results":[{"id":"mp-1093880","created_at":"2022-09-04T14:46:14.872761Z","structure_string":"Y1 Ti1 Pd2\n1.0\n-4.981525 5.939245 8.368249\n4.981525 -5.939245 8.368249\n4.981525 5.939245 -8.368249\nY Ti Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.000000 0.252602 0.252602 Pd\n0.000000 0.747398 0.747398 Pd\n","nsites":4,"nelements":3,"elements":["Y","Ti","Pd"],"chemical_system":"Pd-Ti-Y","density":0.5862034143202323,"density_atomic":0.004038981377542616,"volume":990.3487107518349,"volume_molar":149.10048344080187,"formula_full":"Y1 Ti1 Pd2","formula_reduced":"YTiPd2","formula_anonymous":"ABC2","energy":-17.17801365,"energy_per_atom":-4.2945034125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.17801365,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0005221,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.043000Z","spacegroup":71},{"id":"mp-1096210","created_at":"2022-09-04T14:46:55.009337Z","structure_string":"Na1 Y1 Pb2\n1.0\n-6.102233 6.589807 9.260666\n6.102233 -6.589807 9.260666\n6.102233 6.589807 -9.260666\nNa Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.252654 0.252654 Pb\n0.000000 0.747346 0.747346 Pb\n","nsites":4,"nelements":3,"elements":["Na","Y","Pb"],"chemical_system":"Na-Pb-Y","density":0.5866987443652953,"density_atomic":0.0026853215524291364,"volume":1489.5795240542452,"volume_molar":224.2614391767118,"formula_full":"Na1 Y1 Pb2","formula_reduced":"NaYPb2","formula_anonymous":"ABC2","energy":-9.18464697,"energy_per_atom":-2.2961617425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.18464697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.394000Z","spacegroup":71},{"id":"mp-1096443","created_at":"2022-09-04T14:39:20.425879Z","structure_string":"Mg2 Hg1 Pt1\n1.0\n-5.255245 6.555867 9.124055\n5.255245 -6.555867 9.124055\n5.255245 6.555867 -9.124055\nMg Hg Pt\n2 1 1\ndirect\n0.000000 0.232476 0.232476 Mg\n0.000000 0.767524 0.767524 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Hg","Pt"],"chemical_system":"Hg-Mg-Pt","density":0.5867306595158562,"density_atomic":0.0031811855669195187,"volume":1257.392854285258,"volume_molar":189.3049189780998,"formula_full":"Mg2 Hg1 Pt1","formula_reduced":"Mg2HgPt","formula_anonymous":"ABC2","energy":-5.40419075,"energy_per_atom":-1.3510476875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.40419075,"band_gap":0.0294000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027057,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.895000Z","spacegroup":71},{"id":"mp-1180761","created_at":"2022-09-04T14:39:14.718016Z","structure_string":"Na1 C1 N1 O1\n1.0\n2.946480 1.713637 8.145498\n-2.337434 2.959072 4.686925\n-3.442401 -4.881724 -2.513689\nNa C N O\n1 1 1 1\ndirect\n0.951045 0.527624 0.000000 Na\n0.010463 0.988196 0.000000 C\n0.125318 0.029352 0.000000 N\n0.893175 0.944827 0.000000 O\n","nsites":4,"nelements":4,"elements":["Na","C","N","O"],"chemical_system":"C-N-Na-O","density":0.5876164241637645,"density_atomic":0.021774469009018634,"volume":183.70137973712536,"volume_molar":27.65688916457952,"formula_full":"Na1 C1 N1 O1","formula_reduced":"NaCNO","formula_anonymous":"ABCD","energy":-27.66063353,"energy_per_atom":-6.9151583825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.61263353,"band_gap":3.7911,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000154,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.736000Z","spacegroup":8},{"id":"mp-1096045","created_at":"2022-09-04T14:45:26.602971Z","structure_string":"Sr1 Y1 Pb2\n1.0\n-6.116669 6.945920 9.825337\n6.116669 -6.945920 9.825337\n6.116669 6.945920 -9.825337\nSr Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Y\n0.000000 0.261600 0.261600 Pb\n0.000000 0.738400 0.738400 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Y","Pb"],"chemical_system":"Pb-Sr-Y","density":0.5876650772427404,"density_atomic":0.0023955640567188317,"volume":1669.7528871253564,"volume_molar":251.3871730171322,"formula_full":"Sr1 Y1 Pb2","formula_reduced":"SrYPb2","formula_anonymous":"ABC2","energy":-9.80039516,"energy_per_atom":-2.45009879,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.80039516,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7354483,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.825000Z","spacegroup":71},{"id":"mp-1097597","created_at":"2022-09-04T14:47:44.002057Z","structure_string":"Al2 Tc1 Pd1\n1.0\n-4.805186 5.182377 7.327665\n4.805186 -5.182377 7.327665\n4.805186 5.182377 -7.327665\nAl Tc Pd\n2 1 1\ndirect\n0.000000 0.251773 0.251773 Al\n0.000000 0.748227 0.748227 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Al","Tc","Pd"],"chemical_system":"Al-Pd-Tc","density":0.5878254155862185,"density_atomic":0.005480184591886333,"volume":729.9024207911144,"volume_molar":109.88937797672104,"formula_full":"Al2 Tc1 Pd1","formula_reduced":"Al2TcPd","formula_anonymous":"ABC2","energy":-14.5645925,"energy_per_atom":-3.641148125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.5645925,"band_gap":1.0267999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999467,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.345000Z","spacegroup":71},{"id":"mp-1185521","created_at":"2022-09-04T14:47:01.100194Z","structure_string":"Mg2 B4 H16\n1.0\n-4.168105 4.168105 4.380210\n4.168105 -4.168105 4.380210\n4.168105 4.168105 -4.380210\nMg B H\n2 4 16\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.392357 0.168851 0.223506 B\n0.945345 0.168851 0.776494 B\n0.831149 0.607643 0.776494 B\n0.831149 0.054655 0.223506 B\n0.049616 0.305587 0.744029 H\n0.694413 0.438441 0.744029 H\n0.694413 0.950384 0.255971 H\n0.561559 0.305587 0.255971 H\n0.997425 0.270813 0.975666 H\n0.295147 0.021758 0.024334 H\n0.729187 0.002575 0.024334 H\n0.978241 0.704853 0.975666 H\n0.295147 0.270813 0.273388 H\n0.997425 0.021758 0.726612 H\n0.729187 0.704853 0.726612 H\n0.978241 0.002575 0.273388 H\n0.742491 0.080826 0.661665 H\n0.419162 0.080826 0.338335 H\n0.919174 0.257509 0.338335 H\n0.919174 0.580838 0.661665 H\n","nsites":22,"nelements":3,"elements":["Mg","B","H"],"chemical_system":"B-H-Mg","density":0.5890665715678167,"density_atomic":0.07227539192880007,"volume":304.39129298216244,"volume_molar":8.332214602077192,"formula_full":"Mg2 B4 H16","formula_reduced":"Mg(BH4)2","formula_anonymous":"AB2C8","energy":-91.7898367,"energy_per_atom":-4.172265304545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.9258367,"band_gap":6.4883,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001832,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.387000Z","spacegroup":119},{"id":"mp-1097147","created_at":"2022-09-04T14:46:58.909375Z","structure_string":"Mg1 Be2 Os1\n1.0\n-4.575315 5.050968 7.090159\n4.575315 -5.050968 7.090159\n4.575315 5.050968 -7.090159\nMg Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.272182 0.272181 Be\n0.000000 0.727819 0.727818 Be\n0.000000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Mg","Be","Os"],"chemical_system":"Be-Mg-Os","density":0.5892116781556286,"density_atomic":0.006103070809077779,"volume":655.4077652270317,"volume_molar":98.67394543485547,"formula_full":"Mg1 Be2 Os1","formula_reduced":"MgBe2Os","formula_anonymous":"ABC2","energy":-9.24358396,"energy_per_atom":-2.31089599,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.24358396,"band_gap":0.3757999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000099,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.724000Z","spacegroup":71},{"id":"mp-1097164","created_at":"2022-09-04T14:43:23.846645Z","structure_string":"Ti2 Cr1 Rh1\n1.0\n-4.949750 4.961203 7.184428\n4.949750 -4.961203 7.184428\n4.949750 4.961203 -7.184428\nTi Cr Rh\n2 1 1\ndirect\n0.000000 0.278570 0.278570 Ti\n0.000000 0.721430 0.721430 Ti\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Cr","Rh"],"chemical_system":"Cr-Rh-Ti","density":0.5897519766120537,"density_atomic":0.005668100489911827,"volume":705.7037903825562,"volume_molar":106.2461890137322,"formula_full":"Ti2 Cr1 Rh1","formula_reduced":"Ti2CrRh","formula_anonymous":"ABC2","energy":-20.80305784,"energy_per_atom":-5.20076446,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.80305784,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.270000Z","spacegroup":71},{"id":"mp-1096567","created_at":"2022-09-04T14:45:39.339201Z","structure_string":"Li1 P1 Rh2\n1.0\n-4.788052 5.050737 7.088531\n4.788052 -5.050737 7.088531\n4.788052 5.050737 -7.088531\nLi P Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 P\n0.000000 0.290078 0.290078 Rh\n0.000000 0.709922 0.709922 Rh\n","nsites":4,"nelements":3,"elements":["Li","P","Rh"],"chemical_system":"Li-P-Rh","density":0.5902291942008452,"density_atomic":0.005833512649954837,"volume":685.6932075103956,"volume_molar":103.23352534508729,"formula_full":"Li1 P1 Rh2","formula_reduced":"LiPRh2","formula_anonymous":"ABC2","energy":-14.8463355,"energy_per_atom":-3.711583875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.8463355,"band_gap":0.1155999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002828,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.660000Z","spacegroup":71},{"id":"mp-1093701","created_at":"2022-09-04T14:40:58.695591Z","structure_string":"Na1 Sb1 Pd2\n1.0\n-5.319772 5.540727 8.531744\n5.319772 -5.540727 8.531744\n5.319772 5.540727 -8.531744\nNa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sb\n0.000000 0.271129 0.271129 Pd\n0.000000 0.728871 0.728871 Pd\n","nsites":4,"nelements":3,"elements":["Na","Sb","Pd"],"chemical_system":"Na-Pd-Sb","density":0.5903051930856226,"density_atomic":0.003976513055736263,"volume":1005.9064169875807,"volume_molar":151.44275086216166,"formula_full":"Na1 Sb1 Pd2","formula_reduced":"NaSbPd2","formula_anonymous":"ABC2","energy":-10.33137878,"energy_per_atom":-2.582844695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.33137878,"band_gap":0.1654999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5454874,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.849000Z","spacegroup":71},{"id":"mp-1096011","created_at":"2022-09-04T14:40:35.830905Z","structure_string":"Mg1 Ge1 Ru2\n1.0\n-5.029634 5.446346 7.677582\n5.029634 -5.446346 7.677582\n5.029634 5.446346 -7.677582\nMg Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.272539 0.272539 Ru\n0.000000 0.727461 0.727461 Ru\n","nsites":4,"nelements":3,"elements":["Mg","Ge","Ru"],"chemical_system":"Ge-Mg-Ru","density":0.5903610054200824,"density_atomic":0.004754818295913834,"volume":841.2519156489102,"volume_molar":126.65343626643461,"formula_full":"Mg1 Ge1 Ru2","formula_reduced":"MgGeRu2","formula_anonymous":"ABC2","energy":-14.06920766,"energy_per_atom":-3.517301915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.06920766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997281,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.234000Z","spacegroup":71}]}