{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=updated_at&page=35","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=updated_at&page=33","results":[{"id":"oqmd-4081","created_at":"2022-09-04T14:48:48.395530Z","updated_at":"2022-09-04T14:48:48.395562Z","structure_string":"Ru2 Cl6\n1.0\n6.178971 0.000000 0.000000\n-3.089485 5.351145 0.000000\n0.000000 0.000000 5.710358\nCl Ru\n6 2\ndirect\n0.305064 0.000000 0.250000 Cl\n0.000000 0.305064 0.250000 Cl\n0.694936 0.694935 0.250000 Cl\n0.694936 0.000000 0.750000 Cl\n0.305064 0.305064 0.750000 Cl\n0.000000 0.694935 0.750000 Cl\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n","nsites":8,"nelements":2,"elements":["Cl","Ru"],"chemical_system":"Cl-Ru","density":3.6485672394441737,"density_atomic":0.042370518096988476,"volume":188.81053051292776,"volume_molar":14.213044896489075,"formula_full":"Ru2 Cl6","formula_reduced":"RuCl3","formula_anonymous":"AB3","formation_energy":-0.801028676714342,"spacegroup":193},{"id":"oqmd-7318","created_at":"2022-09-04T14:48:48.398864Z","updated_at":"2022-09-04T14:48:48.398882Z","structure_string":"Y2 B4 Ir4\n1.0\n0.000000 -4.670074 -2.898762\n0.000000 4.670074 -2.898762\n5.463228 0.000000 2.898762\nB Ir Y\n4 4 2\ndirect\n0.554503 0.445497 0.250001 B\n0.195496 0.804504 0.250001 B\n0.804504 0.195496 0.750000 B\n0.445496 0.554503 0.750000 B\n0.752365 0.502364 0.004730 Ir\n0.497636 0.247635 0.495271 Ir\n0.502364 0.752364 0.504729 Ir\n0.247635 0.497636 0.995271 Ir\n0.875000 0.125000 0.250001 Y\n0.124999 0.875000 0.750000 Y\n","nsites":10,"nelements":3,"elements":["B","Ir","Y"],"chemical_system":"B-Ir-Y","density":11.113098825334527,"density_atomic":0.06760586238018435,"volume":147.91616655615735,"volume_molar":8.90771975680784,"formula_full":"Y2 B4 Ir4","formula_reduced":"Y(BIr)2","formula_anonymous":"AB2C2","formation_energy":-0.736122234000001,"spacegroup":70},{"id":"oqmd-67271","created_at":"2022-09-04T14:48:48.401884Z","updated_at":"2022-09-04T14:48:48.401909Z","structure_string":"Mg3 Pb1\n1.0\n3.347639 0.000000 0.000000\n-1.673819 2.899139 0.000000\n0.000000 0.000000 10.301132\nMg Pb\n3 1\ndirect\n0.000000 0.000000 0.005976 Mg\n0.666667 0.333333 0.250000 Mg\n0.000000 0.000000 0.494024 Mg\n0.666667 0.333333 0.750000 Pb\n","nsites":4,"nelements":2,"elements":["Mg","Pb"],"chemical_system":"Mg-Pb","density":4.652569334187846,"density_atomic":0.04000989227398927,"volume":99.97527542958245,"volume_molar":15.051629528917877,"formula_full":"Mg3 Pb1","formula_reduced":"Mg3Pb","formula_anonymous":"AB3","formation_energy":0.0151468256249974,"spacegroup":187},{"id":"oqmd-5823","created_at":"2022-09-04T14:48:48.408568Z","updated_at":"2022-09-04T14:48:48.408596Z","structure_string":"Cu6 I6\n1.0\n4.176420 -0.000035 -0.000011\n-2.088240 3.616938 0.000000\n-0.000049 -0.000028 21.464811\nCu I\n6 6\ndirect\n0.333363 0.666681 0.049520 Cu\n0.000000 0.000000 0.116781 Cu\n0.333368 0.666683 0.383264 Cu\n0.000000 0.000000 0.450307 Cu\n0.666643 0.333322 0.716309 Cu\n0.000000 0.000000 0.783584 Cu\n0.333358 0.666679 0.171497 I\n0.000000 0.000000 0.328497 I\n0.333355 0.666679 0.505153 I\n0.000000 0.000000 0.661752 I\n0.666651 0.333325 0.838353 I\n0.000000 0.000000 0.994953 I\n","nsites":12,"nelements":2,"elements":["Cu","I"],"chemical_system":"Cu-I","density":5.8521061881197,"density_atomic":0.03700931504081122,"volume":324.2426936777203,"volume_molar":16.271959514406618,"formula_full":"Cu6 I6","formula_reduced":"CuI","formula_anonymous":"AB","formation_energy":-0.243283672880825,"spacegroup":156},{"id":"oqmd-10678","created_at":"2022-09-04T14:48:48.408632Z","updated_at":"2022-09-04T14:48:48.408658Z","structure_string":"Tm1 Ag1\n1.0\n3.568600 0.000000 0.000000\n0.000000 3.568600 0.000000\n0.000000 0.000000 3.568600\nAg Tm\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Tm\n","nsites":2,"nelements":2,"elements":["Ag","Tm"],"chemical_system":"Ag-Tm","density":10.114055932774358,"density_atomic":0.044008481358763375,"volume":45.445785408856004,"volume_molar":13.684045834044252,"formula_full":"Tm1 Ag1","formula_reduced":"TmAg","formula_anonymous":"AB","formation_energy":-0.35077449375,"spacegroup":221},{"id":"oqmd-30292","created_at":"2022-09-04T14:48:48.410343Z","updated_at":"2022-09-04T14:48:48.410369Z","structure_string":"La2 Ga2\n1.0\n0.000000 0.000000 4.222484\n4.558364 0.000000 0.000000\n2.279182 5.745075 0.000000\nGa La\n2 2\ndirect\n0.749999 0.432115 0.135768 Ga\n0.250000 0.567884 0.864231 Ga\n0.250000 0.858957 0.282083 La\n0.749999 0.141041 0.717918 La\n","nsites":4,"nelements":2,"elements":["Ga","La"],"chemical_system":"Ga-La","density":6.265849350999742,"density_atomic":0.03617322869281945,"volume":110.57901504916033,"volume_molar":16.648059843205047,"formula_full":"La2 Ga2","formula_reduced":"LaGa","formula_anonymous":"AB","formation_energy":-0.5901756975,"spacegroup":63},{"id":"oqmd-17860","created_at":"2022-09-04T14:48:48.410592Z","updated_at":"2022-09-04T14:48:48.410606Z","structure_string":"Zn1 Ni1\n1.0\n2.885519 0.000000 0.000000\n0.000000 2.885519 0.000000\n0.000000 0.000000 2.885519\nNi Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Ni","Zn"],"chemical_system":"Ni-Zn","density":8.57743553775428,"density_atomic":0.08324500442543137,"volume":24.025465717784254,"volume_molar":7.234236818852561,"formula_full":"Zn1 Ni1","formula_reduced":"ZnNi","formula_anonymous":"AB","formation_energy":-0.249743215000001,"spacegroup":221},{"id":"oqmd-30805","created_at":"2022-09-04T14:48:48.410942Z","updated_at":"2022-09-04T14:48:48.410970Z","structure_string":"Nd2 Pd2\n1.0\n-3.856401 0.000000 0.000000\n0.000000 0.000000 -4.633499\n-1.928201 -5.429314 0.000000\nNd Pd\n2 2\ndirect\n0.863297 0.249999 0.273405 Nd\n0.136702 0.749999 0.726595 Nd\n0.413357 0.749999 0.173285 Pd\n0.586642 0.249999 0.826716 Pd\n","nsites":4,"nelements":2,"elements":["Nd","Pd"],"chemical_system":"Nd-Pd","density":8.580871013589334,"density_atomic":0.04123099082038498,"volume":97.01440398134608,"volume_molar":14.605859913079264,"formula_full":"Nd2 Pd2","formula_reduced":"NdPd","formula_anonymous":"AB","formation_energy":-0.815556182499999,"spacegroup":63},{"id":"oqmd-22469","created_at":"2022-09-04T14:48:48.416956Z","updated_at":"2022-09-04T14:48:48.416985Z","structure_string":"Ta2 N4\n1.0\n5.367981 -0.000157 0.000000\n-2.684127 4.648729 0.000000\n0.000000 0.000000 2.793268\nN Ta\n4 2\ndirect\n0.500016 0.000000 0.000000 N\n0.500005 0.500005 0.000000 N\n0.000000 0.500016 0.000000 N\n0.000000 0.000000 0.000000 N\n0.666692 0.333367 0.500002 Ta\n0.333364 0.666690 0.500002 Ta\n","nsites":6,"nelements":2,"elements":["N","Ta"],"chemical_system":"N-Ta","density":9.956219014488626,"density_atomic":0.0860797067715499,"volume":69.70283967072078,"volume_molar":6.996005197813209,"formula_full":"Ta2 N4","formula_reduced":"TaN2","formula_anonymous":"AB2","formation_energy":0.0596989047709956,"spacegroup":191},{"id":"oqmd-4063","created_at":"2022-09-04T14:48:48.418937Z","updated_at":"2022-09-04T14:48:48.418960Z","structure_string":"Eu4 Cl8\n1.0\n8.755149 0.000000 0.000000\n0.000000 7.363234 0.000000\n0.000000 0.000000 4.405901\nCl Eu\n8 4\ndirect\n0.834243 0.023301 0.250001 Cl\n0.427886 0.143297 0.250001 Cl\n0.665756 0.523300 0.250001 Cl\n0.072113 0.643297 0.250001 Cl\n0.927886 0.356703 0.750001 Cl\n0.334243 0.476700 0.750001 Cl\n0.572114 0.856704 0.750001 Cl\n0.165756 0.976701 0.750001 Cl\n0.114483 0.249170 0.250001 Eu\n0.385517 0.749171 0.250001 Eu\n0.614484 0.250829 0.750001 Eu\n0.885517 0.750829 0.750001 Eu\n","nsites":12,"nelements":2,"elements":["Cl","Eu"],"chemical_system":"Cl-Eu","density":5.211872988464189,"density_atomic":0.04224879899127709,"volume":284.0317425940932,"volume_molar":14.253992785080973,"formula_full":"Eu4 Cl8","formula_reduced":"EuCl2","formula_anonymous":"AB2","formation_energy":-2.82154165457941,"spacegroup":62},{"id":"oqmd-67272","created_at":"2022-09-04T14:48:48.421512Z","updated_at":"2022-09-04T14:48:48.421544Z","structure_string":"Mg3 Bi1\n1.0\n3.400301 0.000000 0.000000\n-1.700150 2.944745 0.000000\n0.000000 0.000000 10.232834\nBi Mg\n1 3\ndirect\n0.666666 0.333333 0.750000 Bi\n0.000000 0.000000 0.008527 Mg\n0.666666 0.333333 0.250000 Mg\n0.000000 0.000000 0.491473 Mg\n","nsites":4,"nelements":2,"elements":["Bi","Mg"],"chemical_system":"Bi-Mg","density":4.5685260052326875,"density_atomic":0.03903902891461075,"volume":102.46156503403597,"volume_molar":15.42594917812147,"formula_full":"Mg3 Bi1","formula_reduced":"Mg3Bi","formula_anonymous":"AB3","formation_energy":0.0156340443749974,"spacegroup":187},{"id":"oqmd-7772","created_at":"2022-09-04T14:48:48.428324Z","updated_at":"2022-09-04T14:48:48.428361Z","structure_string":"Dy2 B4 C4\n1.0\n3.791469 0.000000 0.000000\n0.000000 3.791469 0.000000\n0.000000 0.000000 7.159356\nB C Dy\n4 4 2\ndirect\n0.499999 0.215357 0.000000 B\n0.499999 0.784643 0.000000 B\n0.215357 0.499999 0.500000 B\n0.784643 0.499999 0.500000 B\n0.187365 0.499999 0.000000 C\n0.812635 0.499999 0.000000 C\n0.499999 0.187365 0.500000 C\n0.499999 0.812635 0.500000 C\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n","nsites":10,"nelements":3,"elements":["B","C","Dy"],"chemical_system":"B-C-Dy","density":6.716650653894184,"density_atomic":0.09716526127533949,"volume":102.91744054145816,"volume_molar":6.197833135995917,"formula_full":"Dy2 B4 C4","formula_reduced":"Dy(BC)2","formula_anonymous":"AB2C2","formation_energy":-0.306257522333334,"spacegroup":131}]}