{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formula_anonymous&page=9","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formula_anonymous&page=7","results":[{"id":"oqmd-639397","created_at":"2022-09-04T15:16:03.227173Z","updated_at":"2022-09-04T15:16:03.227193Z","structure_string":"B48\n1.0\n8.592180 0.000000 0.000000\n0.000000 8.592180 0.000000\n0.000000 0.000000 4.996319\nB\n48\ndirect\n0.744650 0.255351 0.080699 B\n0.255351 0.744650 0.080699 B\n0.226617 0.082588 0.091768 B\n0.082588 0.226617 0.091768 B\n0.917412 0.773382 0.091768 B\n0.773382 0.917412 0.091768 B\n0.416350 0.170173 0.095887 B\n0.170173 0.416350 0.095887 B\n0.829825 0.583650 0.095887 B\n0.583650 0.829825 0.095887 B\n0.375827 0.375827 0.115435 B\n0.624173 0.624173 0.115435 B\n0.124173 0.124173 0.384563 B\n0.875827 0.875827 0.384563 B\n0.329827 0.083649 0.404112 B\n0.083649 0.329827 0.404112 B\n0.916350 0.670175 0.404112 B\n0.670175 0.916350 0.404112 B\n0.417412 0.273383 0.408233 B\n0.273383 0.417412 0.408233 B\n0.726618 0.582587 0.408233 B\n0.582587 0.726618 0.408233 B\n0.755350 0.244649 0.419299 B\n0.244649 0.755350 0.419299 B\n0.244649 0.244649 0.580702 B\n0.755350 0.755350 0.580702 B\n0.582587 0.273383 0.591766 B\n0.726618 0.417412 0.591766 B\n0.273383 0.582587 0.591766 B\n0.417412 0.726618 0.591766 B\n0.670175 0.083649 0.595887 B\n0.916350 0.329827 0.595887 B\n0.083649 0.670175 0.595887 B\n0.329827 0.916350 0.595887 B\n0.875827 0.124173 0.615437 B\n0.124173 0.875827 0.615437 B\n0.624173 0.375827 0.884563 B\n0.375827 0.624173 0.884563 B\n0.583650 0.170173 0.904114 B\n0.829825 0.416350 0.904114 B\n0.170173 0.583650 0.904114 B\n0.416350 0.829825 0.904114 B\n0.773382 0.082588 0.908235 B\n0.917412 0.226617 0.908235 B\n0.082588 0.773382 0.908235 B\n0.226617 0.917412 0.908235 B\n0.255351 0.255351 0.919301 B\n0.744650 0.744650 0.919301 B\n","nsites":48,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.3361423904987273,"density_atomic":0.1301320721103323,"volume":368.856033886122,"volume_molar":4.6277144921615765,"formula_full":"B48","formula_reduced":"B","formula_anonymous":"A","formation_energy":0.15403752604167,"spacegroup":134},{"id":"oqmd-584983","created_at":"2022-09-04T15:16:03.242756Z","updated_at":"2022-09-04T15:16:03.242771Z","structure_string":"As2\n1.0\n-1.907379 3.303678 0.000000\n-1.907379 -3.303678 0.000000\n-1.907379 1.101226 3.515611\nAs\n2\ndirect\n0.456826 0.228412 0.314762 As\n0.543175 0.771588 0.685238 As\n","nsites":2,"nelements":1,"elements":["As"],"chemical_system":"As","density":5.615916193382443,"density_atomic":0.04514030376366744,"volume":44.30630353023369,"volume_molar":13.34093982071761,"formula_full":"As2","formula_reduced":"As","formula_anonymous":"A","formation_energy":0.0014210199999995,"spacegroup":166},{"id":"oqmd-595714","created_at":"2022-09-04T15:16:03.321504Z","updated_at":"2022-09-04T15:16:03.321528Z","structure_string":"C60\n1.0\n-9.027686 0.000000 0.000000\n0.000000 -9.117814 0.000000\n4.513843 4.558907 7.567655\nC\n60\ndirect\n0.412059 0.088021 0.000000 C\n0.587941 0.088021 0.000000 C\n0.412059 0.911980 0.000000 C\n0.587941 0.911980 0.000000 C\n0.301151 0.334308 0.097214 C\n0.796063 0.334308 0.097214 C\n0.301151 0.762905 0.097214 C\n0.796063 0.762905 0.097214 C\n0.052614 0.465608 0.105228 C\n0.052614 0.639621 0.105228 C\n0.411602 0.237069 0.154533 C\n0.742931 0.237069 0.154533 C\n0.411602 0.917464 0.154533 C\n0.742931 0.917464 0.154533 C\n0.225533 0.430941 0.190767 C\n0.965233 0.430941 0.190767 C\n0.225533 0.759826 0.190767 C\n0.965233 0.759826 0.190767 C\n0.436861 0.069380 0.300111 C\n0.863251 0.069380 0.300111 C\n0.436861 0.230732 0.300111 C\n0.863251 0.230732 0.300111 C\n0.089147 0.422087 0.338669 C\n0.249522 0.422087 0.338669 C\n0.089147 0.916583 0.338669 C\n0.249522 0.916583 0.338669 C\n0.039818 0.069416 0.394651 C\n0.354833 0.069416 0.394651 C\n0.039818 0.325234 0.394651 C\n0.354833 0.325234 0.394651 C\n0.149546 0.226771 0.453542 C\n0.303996 0.226771 0.453542 C\n0.696004 0.773230 0.546459 C\n0.850454 0.773230 0.546459 C\n0.645167 0.674765 0.605350 C\n0.960183 0.674765 0.605350 C\n0.645167 0.930584 0.605350 C\n0.960183 0.930584 0.605350 C\n0.750478 0.083418 0.661332 C\n0.910854 0.083418 0.661332 C\n0.750478 0.577914 0.661332 C\n0.910854 0.577914 0.661332 C\n0.136750 0.769269 0.699889 C\n0.563139 0.769269 0.699889 C\n0.136750 0.930621 0.699889 C\n0.563139 0.930621 0.699889 C\n0.034766 0.240174 0.809232 C\n0.774466 0.240174 0.809232 C\n0.034766 0.569058 0.809232 C\n0.774466 0.569058 0.809232 C\n0.257069 0.082536 0.845468 C\n0.588399 0.082536 0.845468 C\n0.257069 0.762932 0.845468 C\n0.588399 0.762932 0.845468 C\n0.947385 0.360379 0.894771 C\n0.947385 0.534392 0.894771 C\n0.203936 0.237094 0.902786 C\n0.698849 0.237094 0.902786 C\n0.203936 0.665692 0.902786 C\n0.698849 0.665692 0.902786 C\n","nsites":60,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.921056635927796,"density_atomic":0.09632139237086279,"volume":622.9145833875009,"volume_molar":6.252132171027146,"formula_full":"C60","formula_reduced":"C","formula_anonymous":"A","formation_energy":0.38651811616667,"spacegroup":71},{"id":"oqmd-1214650","created_at":"2022-09-04T15:16:14.634011Z","updated_at":"2022-09-04T15:16:14.634038Z","structure_string":"Pu1\n1.0\n0.000000 1.946651 -2.731581\n1.685848 0.973326 2.731581\n1.685850 -0.973326 -2.731581\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n","nsites":1,"nelements":1,"elements":["Pu"],"chemical_system":"Pu","density":15.065957625926112,"density_atomic":0.03718414653232647,"volume":26.89318145652848,"volume_molar":16.19545242154363,"formula_full":"Pu1","formula_reduced":"Pu","formula_anonymous":"A","formation_energy":0.32173029,"spacegroup":225},{"id":"oqmd-1215142","created_at":"2022-09-04T15:16:14.830137Z","updated_at":"2022-09-04T15:16:14.830161Z","structure_string":"Cs1\n1.0\n3.070816 3.070816 3.070816\n3.070816 -3.070816 -3.070816\n-3.070816 3.070816 -3.070816\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9053313718310307,"density_atomic":0.008633335619827645,"volume":115.83008515310841,"volume_molar":69.7545077034805,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","formation_energy":0.0020204799999999,"spacegroup":229},{"id":"oqmd-1215549","created_at":"2022-09-04T15:16:14.670978Z","updated_at":"2022-09-04T15:16:14.671002Z","structure_string":"Se2\n1.0\n0.000000 3.154416 -3.154416\n3.154416 0.000000 3.154416\n0.000000 -3.154416 -3.154416\nSe\n2\ndirect\n0.000000 0.000000 0.000000 Se\n0.250000 0.500001 0.750001 Se\n","nsites":2,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":4.177335303890613,"density_atomic":0.03185980396458992,"volume":62.775025302191715,"volume_molar":18.902001929118004,"formula_full":"Se2","formula_reduced":"Se","formula_anonymous":"A","formation_energy":0.50262617,"spacegroup":227},{"id":"oqmd-1215377","created_at":"2022-09-04T15:16:14.903376Z","updated_at":"2022-09-04T15:16:14.903406Z","structure_string":"Tc2\n1.0\n2.752709 0.000000 0.000000\n-1.376355 2.383916 0.000000\n0.000000 0.000000 4.412950\nTc\n2\ndirect\n0.333334 0.666668 0.250001 Tc\n0.666665 0.333334 0.749999 Tc\n","nsites":2,"nelements":1,"elements":["Tc"],"chemical_system":"Tc","density":11.238928563040833,"density_atomic":0.06906368349143471,"volume":28.958779765171954,"volume_molar":8.719692399185263,"formula_full":"Tc2","formula_reduced":"Tc","formula_anonymous":"A","formation_energy":0.0,"spacegroup":194},{"id":"oqmd-106266","created_at":"2022-09-04T15:16:10.061674Z","updated_at":"2022-09-04T15:16:10.061697Z","structure_string":"Se3\n1.0\n4.216769 0.000000 0.000000\n-2.108385 3.651829 0.000000\n0.000000 0.000000 5.128422\nSe\n3\ndirect\n0.762466 0.762467 0.000000 Se\n0.237530 0.000000 0.333368 Se\n0.000000 0.237530 0.666700 Se\n","nsites":3,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":4.980850351998228,"density_atomic":0.037988072358909115,"volume":78.97215661948238,"volume_molar":15.852714776109622,"formula_full":"Se3","formula_reduced":"Se","formula_anonymous":"A","formation_energy":0.0072743666666701,"spacegroup":152},{"id":"oqmd-1215738","created_at":"2022-09-04T15:16:14.963935Z","updated_at":"2022-09-04T15:16:14.963964Z","structure_string":"Tl1\n1.0\n-3.409147 0.000000 0.000000\n0.000000 -3.409147 0.000000\n1.704573 1.704573 2.592357\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n","nsites":1,"nelements":1,"elements":["Tl"],"chemical_system":"Tl","density":11.264404546621092,"density_atomic":0.03319049539799916,"volume":30.12910738476906,"volume_molar":18.144172564423478,"formula_full":"Tl1","formula_reduced":"Tl","formula_anonymous":"A","formation_energy":0.0185071450000001,"spacegroup":139},{"id":"oqmd-122328","created_at":"2022-09-04T15:16:10.032062Z","updated_at":"2022-09-04T15:16:10.032079Z","structure_string":"Sc1\n1.0\n0.000000 0.000000 -2.999971\n-1.944427 -1.944427 1.499985\n-1.944427 1.944427 -1.499985\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n","nsites":1,"nelements":1,"elements":["Sc"],"chemical_system":"Sc","density":3.2908309391816504,"density_atomic":0.04408284974835684,"volume":22.684558863785213,"volume_molar":13.660960655622022,"formula_full":"Sc1","formula_reduced":"Sc","formula_anonymous":"A","formation_energy":0.212034145000001,"spacegroup":139},{"id":"oqmd-583758","created_at":"2022-09-04T15:16:04.069319Z","updated_at":"2022-09-04T15:16:04.069332Z","structure_string":"Be2\n1.0\n2.268172 0.000000 0.000000\n-1.134086 1.964224 0.000000\n0.000000 0.000000 3.554240\nBe\n2\ndirect\n0.666688 0.333373 0.250000 Be\n0.333312 0.666625 0.750000 Be\n","nsites":2,"nelements":1,"elements":["Be"],"chemical_system":"Be","density":1.8901457692373331,"density_atomic":0.12630375066991906,"volume":15.834842507779358,"volume_molar":4.767982524713935,"formula_full":"Be2","formula_reduced":"Be","formula_anonymous":"A","formation_energy":0.0002159750000001,"spacegroup":194},{"id":"oqmd-1215332","created_at":"2022-09-04T15:16:18.575446Z","updated_at":"2022-09-04T15:16:18.575468Z","structure_string":"Hf2\n1.0\n3.193987 0.000000 0.000000\n-1.596993 2.766073 0.000000\n0.000000 0.000000 5.059729\nHf\n2\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666665 0.333332 0.750001 Hf\n","nsites":2,"nelements":1,"elements":["Hf"],"chemical_system":"Hf","density":13.260776165118598,"density_atomic":0.04474102788996274,"volume":44.70169985631203,"volume_molar":13.459996437299141,"formula_full":"Hf2","formula_reduced":"Hf","formula_anonymous":"A","formation_energy":0.0,"spacegroup":194}]}