{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=28","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=26","results":[{"id":"mp-50","created_at":"2022-09-04T14:47:18.301684Z","structure_string":"Ta1\n1.0\n-1.661144 1.661144 1.661144\n1.661144 -1.661144 1.661144\n1.661144 1.661144 -1.661144\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n","nsites":1,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":16.38780394913755,"density_atomic":0.054540380447173645,"volume":18.335038952809896,"volume_molar":11.04161854139042,"formula_full":"Ta1","formula_reduced":"Ta","formula_anonymous":"A","energy":-11.85777763,"energy_per_atom":-11.85777763,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.85777763,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012194,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.814000Z","spacegroup":229},{"id":"mp-22848","created_at":"2022-09-04T14:46:16.615476Z","structure_string":"Cl4\n1.0\n2.331638 -3.740204 0.000000\n2.331638 3.740204 0.000000\n0.000000 0.000000 8.260659\nCl\n4\ndirect\n0.388552 0.388552 0.604044 Cl\n0.611448 0.611448 0.395956 Cl\n0.111448 0.111448 0.104044 Cl\n0.888552 0.888552 0.895956 Cl\n","nsites":4,"nelements":1,"elements":["Cl"],"chemical_system":"Cl","density":1.6344098612381623,"density_atomic":0.027762520089441484,"volume":144.07913932572936,"volume_molar":21.69162143997984,"formula_full":"Cl4","formula_reduced":"Cl","formula_anonymous":"A","energy":-7.39263836,"energy_per_atom":-1.84815959,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.39263836,"band_gap":2.563,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045596,"is_theoretical":false,"updated_at":"2021-11-28T01:37:25.118000Z","spacegroup":64},{"id":"mp-153","created_at":"2022-09-04T14:45:54.713555Z","structure_string":"Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n","nsites":2,"nelements":1,"elements":["Mg"],"chemical_system":"Mg","density":1.7720891684001192,"density_atomic":0.04390771616977905,"volume":45.550080360967776,"volume_molar":13.715449778152976,"formula_full":"Mg2","formula_reduced":"Mg","formula_anonymous":"A","energy":-3.18178778,"energy_per_atom":-1.59089389,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.18178778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003055,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.196000Z","spacegroup":194},{"id":"mp-567144","created_at":"2022-09-04T14:45:26.407873Z","structure_string":"Sb4\n1.0\n-4.107000 4.107000 2.028685\n4.107000 -4.107000 2.028685\n4.107000 4.107000 -2.028685\nSb\n4\ndirect\n0.650122 0.849878 0.500000 Sb\n0.150122 0.650122 0.800243 Sb\n0.349878 0.150122 0.500000 Sb\n0.849878 0.349878 0.199757 Sb\n","nsites":4,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":5.908669698900873,"density_atomic":0.02922375217101227,"volume":136.87496309826,"volume_molar":20.607007357438185,"formula_full":"Sb4","formula_reduced":"Sb","formula_anonymous":"A","energy":-15.3789281,"energy_per_atom":-3.844732025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.3789281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058366,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.219000Z","spacegroup":140},{"id":"mp-611219","created_at":"2022-09-04T14:44:50.318943Z","structure_string":"Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":3.9533286686092426,"density_atomic":0.011868738083222304,"volume":84.25495558062774,"volume_molar":50.739520223408775,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.21932567,"energy_per_atom":-0.21932567,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.21932567,"band_gap":1.7611,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059825,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.093000Z","spacegroup":166},{"id":"mp-1188177","created_at":"2022-09-04T14:44:56.655303Z","structure_string":"H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n","nsites":16,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.21005122513482502,"density_atomic":0.12549933974338837,"volume":127.49071057039504,"volume_molar":4.798543779045867,"formula_full":"H16","formula_reduced":"H","formula_anonymous":"A","energy":-53.71851732,"energy_per_atom":-3.3574073325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.71851732,"band_gap":7.3865,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.948000Z","spacegroup":62},{"id":"mp-1184367","created_at":"2022-09-04T14:45:21.979562Z","structure_string":"Eu4\n1.0\n1.979594 -3.428757 0.000000\n1.979594 3.428757 0.000000\n0.000000 0.000000 12.860896\nEu\n4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.250000 Eu\n0.000000 0.000000 0.500000 Eu\n0.666667 0.333333 0.750000 Eu\n","nsites":4,"nelements":1,"elements":["Eu"],"chemical_system":"Eu","density":5.78143633122631,"density_atomic":0.02291109959836192,"volume":174.5878665852419,"volume_molar":26.284817689110685,"formula_full":"Eu4","formula_reduced":"Eu","formula_anonymous":"A","energy":-41.01005896,"energy_per_atom":-10.25251474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.01005896,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.3073793,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.367000Z","spacegroup":194},{"id":"mp-145","created_at":"2022-09-04T14:45:33.978925Z","structure_string":"Lu2\n1.0\n1.762419 -3.052599 0.000000\n1.762419 3.052599 0.000000\n0.000000 0.000000 5.470614\nLu\n2\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n","nsites":2,"nelements":1,"elements":["Lu"],"chemical_system":"Lu","density":9.871661309770055,"density_atomic":0.03397699792705217,"volume":58.86335232718187,"volume_molar":17.724169665988143,"formula_full":"Lu2","formula_reduced":"Lu","formula_anonymous":"A","energy":-9.04190104,"energy_per_atom":-4.52095052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.04190104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000939,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.779000Z","spacegroup":194},{"id":"mp-1103107","created_at":"2022-09-04T14:45:54.823058Z","structure_string":"Li12\n1.0\n8.046617 2.787678 0.000000\n-8.046617 2.787678 0.000000\n0.000000 0.000000 5.406859\nLi\n12\ndirect\n0.755953 0.755953 0.597809 Li\n0.244047 0.244047 0.402191 Li\n0.744047 0.744047 0.097809 Li\n0.255953 0.255953 0.902191 Li\n0.781959 0.454821 0.753871 Li\n0.545179 0.218041 0.246129 Li\n0.045179 0.718041 0.253871 Li\n0.281959 0.954821 0.746129 Li\n0.218041 0.545179 0.246129 Li\n0.454821 0.781959 0.753871 Li\n0.954821 0.281959 0.746129 Li\n0.718041 0.045179 0.253871 Li\n","nsites":12,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.5701923810387176,"density_atomic":0.04947095202537607,"volume":242.5665872337491,"volume_molar":12.173084433287134,"formula_full":"Li12","formula_reduced":"Li","formula_anonymous":"A","energy":-22.24252073,"energy_per_atom":-1.8535433941666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.24252073,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007779,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.661000Z","spacegroup":64},{"id":"mp-1012110","created_at":"2022-09-04T14:46:10.006807Z","structure_string":"Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n","nsites":4,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.8839893745320324,"density_atomic":0.008536631902981455,"volume":468.5688741719065,"volume_molar":70.54469290044874,"formula_full":"Cs4","formula_reduced":"Cs","formula_anonymous":"A","energy":-3.39635312,"energy_per_atom":-0.84908828,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.39635312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038977,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.978000Z","spacegroup":57},{"id":"mp-624889","created_at":"2022-09-04T14:46:25.902951Z","structure_string":"C8\n1.0\n2.459909 -2.558498 0.000000\n2.459909 2.558498 0.000000\n0.000000 0.000000 5.431344\nC\n8\ndirect\n0.250000 0.250000 0.130661 C\n0.891782 0.391782 0.763364 C\n0.750000 0.750000 0.130661 C\n0.250000 0.250000 0.869339 C\n0.750000 0.750000 0.869339 C\n0.608218 0.108218 0.763364 C\n0.108218 0.608218 0.236636 C\n0.391782 0.891782 0.236636 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.333812570762009,"density_atomic":0.1170168917169127,"volume":68.36619809859249,"volume_molar":5.146385852197105,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy":-63.78070005,"energy_per_atom":-7.97258750625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.78070005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002641,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.316000Z","spacegroup":67},{"id":"mp-1057273","created_at":"2022-09-04T14:46:41.970948Z","structure_string":"Pb2\n1.0\n-1.821154 -3.154331 0.000000\n1.821154 -3.154331 0.000000\n0.000000 -2.102887 6.062357\nPb\n2\ndirect\n0.098344 0.098344 0.704969 Pb\n0.901656 0.901656 0.295031 Pb\n","nsites":2,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":9.87969198211149,"density_atomic":0.028714718051293272,"volume":69.65069259699462,"volume_molar":20.97231374252958,"formula_full":"Pb2","formula_reduced":"Pb","formula_anonymous":"A","energy":-7.21175823,"energy_per_atom":-3.605879115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.21175823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001925,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.441000Z","spacegroup":166}]}