{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density&page=8","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density&page=6","results":[{"id":"oqmd-1280477","created_at":"2022-09-04T15:42:18.260427Z","updated_at":"2022-09-04T15:42:18.260453Z","structure_string":"Y1 Au5\n1.0\n3.737331 0.000000 0.000000\n0.000000 4.179660 2.413123\n0.000000 -4.179660 2.413123\nAu Y\n5 1\ndirect\n0.500000 0.499998 0.000000 Au\n0.000000 0.666607 0.333303 Au\n0.500000 0.000000 0.499998 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.333303 0.666607 Au\n0.000000 0.000000 0.000000 Y\n","nsites":6,"nelements":2,"elements":["Au","Y"],"chemical_system":"Au-Y","density":23.650249620861896,"density_atomic":0.07958647645190028,"volume":75.38969266501229,"volume_molar":7.566789018030725,"formula_full":"Y1 Au5","formula_reduced":"YAu5","formula_anonymous":"AB5","formation_energy":-0.354806109166667,"spacegroup":191},{"id":"oqmd-1214739","created_at":"2022-09-04T15:39:02.852286Z","updated_at":"2022-09-04T15:39:02.852319Z","structure_string":"Pu4\n1.0\n-2.373054 -4.131211 0.000000\n-2.373054 4.131211 0.000000\n0.000000 0.000000 -3.501797\nPu\n4\ndirect\n0.139211 0.860787 0.123599 Pu\n0.639210 0.360788 0.376404 Pu\n0.360788 0.639210 0.623597 Pu\n0.860787 0.139211 0.876404 Pu\n","nsites":4,"nelements":1,"elements":["Pu"],"chemical_system":"Pu","density":23.604399439416937,"density_atomic":0.05825779345432687,"volume":68.6603416096755,"volume_molar":10.33705604507877,"formula_full":"Pu4","formula_reduced":"Pu","formula_anonymous":"A","formation_energy":0.17173639,"spacegroup":64},{"id":"oqmd-1449583","created_at":"2022-09-04T15:50:50.246695Z","updated_at":"2022-09-04T15:50:50.246728Z","structure_string":"Tm4 Ru8\n1.0\n0.000000 3.738663 3.738663\n3.738663 0.000000 3.738663\n3.738663 3.738663 0.000000\nRu Tm\n8 4\ndirect\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.625000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n0.625000 0.125000 0.625000 Ru\n0.125000 0.625000 0.625000 Ru\n0.625000 0.625000 0.625000 Ru\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Tm\n","nsites":12,"nelements":2,"elements":["Ru","Tm"],"chemical_system":"Ru-Tm","density":23.58255764747449,"density_atomic":0.11481596768715134,"volume":104.51507958106839,"volume_molar":5.245037673164964,"formula_full":"Tm4 Ru8","formula_reduced":"TmRu2","formula_anonymous":"AB2","formation_energy":-0.3348598149999991,"spacegroup":224},{"id":"oqmd-935532","created_at":"2022-09-04T15:43:33.634769Z","updated_at":"2022-09-04T15:43:33.634793Z","structure_string":"Hf2 Ru1 W2\n1.0\n0.000000 3.084973 3.084973\n3.084973 0.000000 3.084973\n3.084973 3.084973 0.000000\nHf Ru W\n2 1 2\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n","nsites":5,"nelements":3,"elements":["Hf","Ru","W"],"chemical_system":"Hf-Ru-W","density":23.350869840723306,"density_atomic":0.08515024590233525,"volume":58.71973647304376,"volume_molar":7.072370368615509,"formula_full":"Hf2 Ru1 W2","formula_reduced":"Hf2RuW2","formula_anonymous":"AB2C2","formation_energy":0.246549451666667,"spacegroup":225},{"id":"oqmd-373184","created_at":"2022-09-04T14:53:02.463380Z","updated_at":"2022-09-04T14:53:02.463392Z","structure_string":"Lu1 Tl2 Pb1\n1.0\n-0.002372 3.059550 3.059550\n3.059550 -0.002372 3.059550\n3.059550 3.059550 -0.002372\nLu Pb Tl\n1 1 2\ndirect\n0.250027 0.250027 0.250027 Lu\n0.750050 0.750050 0.750050 Pb\n0.499926 0.499926 0.499926 Tl\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":3,"elements":["Lu","Pb","Tl"],"chemical_system":"Lu-Pb-Tl","density":22.902437562641794,"density_atomic":0.0697513433729471,"volume":57.346565765948974,"volume_molar":8.633727278628548,"formula_full":"Lu1 Tl2 Pb1","formula_reduced":"LuTl2Pb","formula_anonymous":"ABC2","formation_energy":3.90971707625,"spacegroup":225},{"id":"oqmd-1215887","created_at":"2022-09-04T15:39:03.707314Z","updated_at":"2022-09-04T15:39:03.707337Z","structure_string":"Np3\n1.0\n3.650932 0.000000 0.000000\n-1.825467 3.161801 0.000000\n0.000000 0.000000 4.466313\nNp\n3\ndirect\n0.669104 0.669103 0.000000 Np\n0.330894 0.000000 0.333333 Np\n0.000000 0.330897 0.666666 Np\n","nsites":3,"nelements":1,"elements":["Np"],"chemical_system":"Np","density":22.899777695669385,"density_atomic":0.058188052617589345,"volume":51.55697544504431,"volume_molar":10.34944544299735,"formula_full":"Np3","formula_reduced":"Np","formula_anonymous":"A","formation_energy":0.3192197479167,"spacegroup":221},{"id":"oqmd-6089","created_at":"2022-09-04T15:16:43.012787Z","updated_at":"2022-09-04T15:16:43.012803Z","structure_string":"Pu16\n1.0\n5.940670 0.000000 -0.011371\n0.000000 4.500971 0.000000\n-2.174267 0.000000 10.623497\nPu\n16\ndirect\n0.697834 0.750000 0.071496 Pu\n0.134847 0.750000 0.109655 Pu\n0.335993 0.249999 0.160713 Pu\n0.749720 0.249999 0.170957 Pu\n0.106697 0.249999 0.326791 Pu\n0.559973 0.750000 0.365376 Pu\n0.981898 0.750000 0.381945 Pu\n0.650423 0.249999 0.465025 Pu\n0.349647 0.750000 0.534790 Pu\n0.017435 0.249999 0.618110 Pu\n0.439912 0.249999 0.634721 Pu\n0.893757 0.750000 0.673420 Pu\n0.250045 0.750000 0.828884 Pu\n0.664303 0.750000 0.839121 Pu\n0.865362 0.249999 0.890566 Pu\n0.302157 0.249999 0.928431 Pu\n","nsites":16,"nelements":1,"elements":["Pu"],"chemical_system":"Pu","density":22.830737034349635,"density_atomic":0.05634832464053772,"volume":283.94810497150775,"volume_molar":10.687346604210472,"formula_full":"Pu16","formula_reduced":"Pu","formula_anonymous":"A","formation_energy":0.0,"spacegroup":11},{"id":"oqmd-1065583","created_at":"2022-09-04T15:53:48.907026Z","updated_at":"2022-09-04T15:53:48.907046Z","structure_string":"Np4 Ir4 N4 O4\n1.0\n4.926497 0.000000 0.000000\n0.000000 6.053913 0.000000\n0.000000 0.000000 4.490521\nIr N Np O\n4 4 4 4\ndirect\n0.401999 0.412638 0.480693 Ir\n0.901999 0.587362 0.480693 Ir\n0.098001 0.412638 0.980693 Ir\n0.598001 0.587362 0.980693 Ir\n0.407714 0.390575 0.124099 N\n0.907714 0.609425 0.124099 N\n0.092286 0.390575 0.624099 N\n0.592286 0.609425 0.624099 N\n0.565561 0.151144 0.008073 Np\n0.065561 0.848856 0.008073 Np\n0.934439 0.151144 0.508073 Np\n0.434439 0.848856 0.508073 Np\n0.948376 0.105932 0.089535 O\n0.448376 0.894068 0.089535 O\n0.551624 0.105932 0.589535 O\n0.051624 0.894068 0.589535 O\n","nsites":16,"nelements":4,"elements":["Ir","N","Np","O"],"chemical_system":"Ir-N-Np-O","density":22.775173018727266,"density_atomic":0.11946724613768571,"volume":133.92792181348216,"volume_molar":5.04082998034415,"formula_full":"Np4 Ir4 N4 O4","formula_reduced":"NpIrNO","formula_anonymous":"ABCD","formation_energy":4.924158178258812,"spacegroup":29},{"id":"oqmd-319939","created_at":"2022-09-04T14:50:37.669091Z","updated_at":"2022-09-04T14:50:37.669109Z","structure_string":"Pu6 H2\n1.0\n6.054637 0.000000 0.000000\n-3.027318 5.243469 0.000000\n0.000000 0.000000 3.367032\nH Pu\n2 6\ndirect\n0.666667 0.333333 0.249998 H\n0.333334 0.666667 0.750002 H\n0.183938 0.367877 0.249998 Pu\n0.183938 0.816061 0.249998 Pu\n0.632121 0.816061 0.249998 Pu\n0.367876 0.183937 0.750002 Pu\n0.816060 0.183937 0.750002 Pu\n0.816062 0.632124 0.750002 Pu\n","nsites":8,"nelements":2,"elements":["H","Pu"],"chemical_system":"H-Pu","density":22.773706164312525,"density_atomic":0.07484037032164459,"volume":106.89417978048566,"volume_molar":8.046647463285383,"formula_full":"Pu6 H2","formula_reduced":"Pu3H","formula_anonymous":"AB3","formation_energy":0.381064176953956,"spacegroup":194},{"id":"oqmd-314695","created_at":"2022-09-04T14:50:18.459007Z","updated_at":"2022-09-04T14:50:18.459035Z","structure_string":"Pu1 Np3\n1.0\n0.000000 3.265654 3.265654\n3.265654 0.000000 3.265654\n3.265654 3.265654 0.000000\nNp Pu\n3 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Np\n0.499999 0.499999 0.499999 Np\n0.750000 0.750000 0.750000 Pu\n","nsites":4,"nelements":2,"elements":["Np","Pu"],"chemical_system":"Np-Pu","density":22.76732289648056,"density_atomic":0.057427444296694635,"volume":69.6531083524159,"volume_molar":10.486520571744505,"formula_full":"Pu1 Np3","formula_reduced":"PuNp3","formula_anonymous":"AB3","formation_energy":0.4670861359375,"spacegroup":225},{"id":"oqmd-1215798","created_at":"2022-09-04T15:39:07.830061Z","updated_at":"2022-09-04T15:39:07.830087Z","structure_string":"Np2\n1.0\n1.821406 -3.154766 0.000000\n-1.821406 -3.154766 0.000000\n0.000000 2.103178 -3.013604\nNp\n2\ndirect\n0.756652 0.756652 0.269959 Np\n0.243348 0.243348 0.730043 Np\n","nsites":2,"nelements":1,"elements":["Np"],"chemical_system":"Np","density":22.7267505595752,"density_atomic":0.05774839279935351,"volume":34.63299847926486,"volume_molar":10.428239589149946,"formula_full":"Np2","formula_reduced":"Np","formula_anonymous":"A","formation_energy":0.31301870125,"spacegroup":166},{"id":"oqmd-311518","created_at":"2022-09-04T14:50:22.898224Z","updated_at":"2022-09-04T14:50:22.898244Z","structure_string":"Pu3 Os1\n1.0\n0.000000 3.236593 3.236593\n3.236593 0.000000 3.236593\n3.236593 3.236593 0.000000\nOs Pu\n1 3\ndirect\n0.750000 0.750000 0.750000 Os\n0.000000 0.000000 0.000000 Pu\n0.250001 0.250001 0.250001 Pu\n0.500000 0.500000 0.500000 Pu\n","nsites":4,"nelements":2,"elements":["Os","Pu"],"chemical_system":"Os-Pu","density":22.583646951600105,"density_atomic":0.05898827878671485,"volume":67.81008163440204,"volume_molar":10.2090464137365,"formula_full":"Pu3 Os1","formula_reduced":"Pu3Os","formula_anonymous":"AB3","formation_energy":0.420184095000002,"spacegroup":225}]}