{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density_atomic&page=9","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density_atomic&page=7","results":[{"id":"oqmd-345095","created_at":"2022-09-04T14:51:06.017009Z","updated_at":"2022-09-04T14:51:06.017035Z","structure_string":"Be1 H3\n1.0\n2.525609 0.000000 0.000000\n0.000000 2.525609 0.000000\n0.000000 0.000000 2.525609\nBe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.499998 0.499998 0.000000 H\n0.499998 0.000000 0.499998 H\n0.000000 0.499998 0.499998 H\n","nsites":4,"nelements":2,"elements":["Be","H"],"chemical_system":"Be-H","density":1.2406034918622375,"density_atomic":0.24829137974299967,"volume":16.110104201524443,"volume_molar":2.42543287899619,"formula_full":"Be1 H3","formula_reduced":"BeH3","formula_anonymous":"AB3","formation_energy":0.682798398361869,"spacegroup":221},{"id":"oqmd-310940","created_at":"2022-09-04T14:50:13.268711Z","updated_at":"2022-09-04T14:50:13.268739Z","structure_string":"Be1 H3\n1.0\n0.000000 2.009179 2.009179\n2.009179 0.000000 2.009179\n2.009179 2.009179 0.000000\nBe H\n1 3\ndirect\n0.749998 0.749998 0.749998 Be\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n","nsites":4,"nelements":2,"elements":["Be","H"],"chemical_system":"Be-H","density":1.23209859484183,"density_atomic":0.24658923024106705,"volume":16.221308595227686,"volume_molar":2.442175091796475,"formula_full":"Be1 H3","formula_reduced":"BeH3","formula_anonymous":"AB3","formation_energy":0.777792913361869,"spacegroup":225},{"id":"oqmd-1442681","created_at":"2022-09-04T15:50:37.556577Z","updated_at":"2022-09-04T15:50:37.556599Z","structure_string":"H4 O2\n1.0\n2.900508 0.000000 0.000000\n0.000000 2.900508 0.000000\n0.000000 0.000000 2.900508\nH O\n4 2\ndirect\n0.249856 0.249856 0.249856 H\n0.750144 0.750144 0.249856 H\n0.750144 0.249856 0.750144 H\n0.249856 0.750144 0.750144 H\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.499999 O\n","nsites":6,"nelements":2,"elements":["H","O"],"chemical_system":"H-O","density":2.4518726354932903,"density_atomic":0.24588330808572634,"volume":24.401819085287894,"volume_molar":2.449186488860969,"formula_full":"H4 O2","formula_reduced":"H2O","formula_anonymous":"AB2","formation_energy":-0.863818666749035,"spacegroup":224},{"id":"oqmd-1602788","created_at":"2022-09-04T16:00:00.328102Z","updated_at":"2022-09-04T16:00:00.328130Z","structure_string":"Li1 H5\n1.0\n3.564300 0.000000 0.000000\n-1.782150 3.086774 0.000000\n0.000000 0.000000 2.218456\nH Li\n5 1\ndirect\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Li\n","nsites":6,"nelements":2,"elements":["H","Li"],"chemical_system":"H-Li","density":0.8150821592656373,"density_atomic":0.2458223390499066,"volume":24.4078712422547,"volume_molar":2.4497939378802314,"formula_full":"Li1 H5","formula_reduced":"LiH5","formula_anonymous":"AB5","formation_energy":0.8059491898465204,"spacegroup":191},{"id":"oqmd-1603088","created_at":"2022-09-04T16:00:00.612117Z","updated_at":"2022-09-04T16:00:00.612144Z","structure_string":"H5 N1\n1.0\n2.475565 0.000000 0.000000\n-1.237783 2.143902 0.000000\n0.000000 0.000000 4.608652\nH N\n5 1\ndirect\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 N\n","nsites":6,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":1.2930306492080752,"density_atomic":0.245300295464219,"volume":24.459815625763063,"volume_molar":2.4550075443665444,"formula_full":"H5 N1","formula_reduced":"H5N","formula_anonymous":"AB5","formation_energy":1.00310758228927,"spacegroup":191},{"id":"oqmd-1472332","created_at":"2022-09-04T15:51:37.520066Z","updated_at":"2022-09-04T15:51:37.520090Z","structure_string":"B1 H8\n1.0\n5.128682 0.000000 0.000000\n-2.564341 4.441569 0.000000\n0.000000 0.000000 1.611833\nB H\n1 8\ndirect\n0.000000 0.000000 0.500000 B\n0.425792 0.212896 0.000000 H\n0.787104 0.212896 0.000000 H\n0.666667 0.333333 0.000000 H\n0.212896 0.425792 0.000000 H\n0.787104 0.574208 0.000000 H\n0.333333 0.666667 0.000000 H\n0.212896 0.787104 0.000000 H\n0.574208 0.787104 0.000000 H\n","nsites":9,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":0.8536164684191214,"density_atomic":0.2451208654146157,"volume":36.7165805521155,"volume_molar":2.4568046256746454,"formula_full":"B1 H8","formula_reduced":"BH8","formula_anonymous":"AB8","formation_energy":0.9321538902807328,"spacegroup":191},{"id":"oqmd-320867","created_at":"2022-09-04T14:50:51.585946Z","updated_at":"2022-09-04T14:50:51.585983Z","structure_string":"H6 O2\n1.0\n3.306188 0.000000 0.000000\n-1.653093 2.863243 0.000000\n0.000000 0.000000 3.506379\nH O\n6 2\ndirect\n0.097276 0.194552 0.249999 H\n0.097274 0.902725 0.249999 H\n0.805450 0.902725 0.249999 H\n0.194551 0.097274 0.749999 H\n0.902723 0.097274 0.749999 H\n0.902727 0.805450 0.749999 H\n0.666669 0.333335 0.249999 O\n0.333333 0.666667 0.749999 O\n","nsites":8,"nelements":2,"elements":["H","O"],"chemical_system":"H-O","density":1.9033493760927982,"density_atomic":0.2410157241991653,"volume":33.19285505782658,"volume_molar":2.49865056730637,"formula_full":"H6 O2","formula_reduced":"H3O","formula_anonymous":"AB3","formation_energy":0.61046537564218,"spacegroup":194},{"id":"oqmd-1589282","created_at":"2022-09-04T15:57:17.637845Z","updated_at":"2022-09-04T15:57:17.637866Z","structure_string":"H4 C2\n1.0\n0.000000 2.320934 2.320934\n2.320934 0.000000 2.320934\n2.320934 2.320934 0.000000\nC H\n2 4\ndirect\n0.500000 0.500000 0.500000 C\n0.750000 0.750000 0.750000 C\n0.125000 0.125000 0.125000 H\n0.625000 0.125000 0.125000 H\n0.125000 0.625000 0.125000 H\n0.125000 0.125000 0.625000 H\n","nsites":6,"nelements":2,"elements":["C","H"],"chemical_system":"C-H","density":1.8629985568766652,"density_atomic":0.23995670111456835,"volume":25.004511114425075,"volume_molar":2.509678092767538,"formula_full":"H4 C2","formula_reduced":"H2C","formula_anonymous":"AB2","formation_energy":2.2764871543772163,"spacegroup":227},{"id":"oqmd-1281032","created_at":"2022-09-04T15:42:13.637614Z","updated_at":"2022-09-04T15:42:13.637644Z","structure_string":"Fe4 H8\n1.0\n3.686589 0.000000 0.000000\n0.000000 3.686589 0.000000\n0.000000 0.000000 3.686589\nFe H\n4 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.874841 0.374841 0.125159 H\n0.625159 0.874841 0.125159 H\n0.374841 0.374841 0.374841 H\n0.125159 0.874841 0.374841 H\n0.874841 0.125159 0.625159 H\n0.625159 0.625159 0.625159 H\n0.374841 0.125159 0.874841 H\n0.125159 0.625159 0.874841 H\n","nsites":12,"nelements":2,"elements":["Fe","H"],"chemical_system":"Fe-H","density":7.670434302860543,"density_atomic":0.23950086005322652,"volume":50.104204207588765,"volume_molar":2.514454753382365,"formula_full":"Fe4 H8","formula_reduced":"FeH2","formula_anonymous":"AB2","formation_energy":0.214373838543883,"spacegroup":205},{"id":"oqmd-41897","created_at":"2022-09-04T15:51:36.573797Z","updated_at":"2022-09-04T15:51:36.573828Z","structure_string":"B8 H24 N8 F24\n1.0\n4.475255 0.000000 0.000000\n0.000000 7.794798 0.000000\n0.000000 0.000000 7.719335\nB F H N\n8 24 24 8\ndirect\n0.870245 0.322887 0.086003 B\n0.129755 0.822887 0.086003 B\n0.870245 0.322887 0.413997 B\n0.129755 0.822887 0.413997 B\n0.870245 0.177113 0.586003 B\n0.129755 0.677113 0.586003 B\n0.870245 0.177113 0.913997 B\n0.129755 0.677113 0.913997 B\n0.133715 0.299284 0.012877 F\n0.866285 0.799284 0.012877 F\n0.911808 0.017273 0.040959 F\n0.088192 0.517273 0.040959 F\n0.608577 0.223019 0.197262 F\n0.391423 0.723019 0.197262 F\n0.608577 0.223019 0.302738 F\n0.391423 0.723019 0.302738 F\n0.911808 0.017273 0.459041 F\n0.088192 0.517273 0.459041 F\n0.133715 0.299284 0.487123 F\n0.866285 0.799284 0.487123 F\n0.133715 0.200716 0.512877 F\n0.866285 0.700716 0.512877 F\n0.911808 0.482727 0.540959 F\n0.088192 0.982727 0.540959 F\n0.608577 0.276981 0.697262 F\n0.391423 0.776981 0.697262 F\n0.608577 0.276981 0.802738 F\n0.391423 0.776981 0.802738 F\n0.911808 0.482727 0.959041 F\n0.088192 0.982727 0.959041 F\n0.133715 0.200716 0.987123 F\n0.866285 0.700716 0.987123 F\n0.182747 0.110476 0.014366 H\n0.817253 0.610476 0.014366 H\n0.662056 0.115320 0.025288 H\n0.337944 0.615320 0.025288 H\n0.416228 0.486049 0.131604 H\n0.583772 0.986049 0.131604 H\n0.416228 0.486049 0.368396 H\n0.583772 0.986049 0.368396 H\n0.662056 0.115320 0.474712 H\n0.337944 0.615320 0.474712 H\n0.182747 0.110476 0.485634 H\n0.817253 0.610476 0.485634 H\n0.182747 0.389524 0.514366 H\n0.817253 0.889524 0.514366 H\n0.662056 0.384680 0.525288 H\n0.337944 0.884680 0.525288 H\n0.416228 0.013951 0.631604 H\n0.583772 0.513951 0.631604 H\n0.416228 0.013951 0.868396 H\n0.583772 0.513951 0.868396 H\n0.662056 0.384680 0.974712 H\n0.337944 0.884680 0.974712 H\n0.182747 0.389524 0.985634 H\n0.817253 0.889524 0.985634 H\n0.699926 0.443752 0.023163 N\n0.300074 0.943752 0.023163 N\n0.699926 0.443752 0.476837 N\n0.300074 0.943752 0.476837 N\n0.699926 0.056248 0.523163 N\n0.300074 0.556248 0.523163 N\n0.699926 0.056248 0.976837 N\n0.300074 0.556248 0.976837 N\n","nsites":64,"nelements":4,"elements":["B","F","H","N"],"chemical_system":"B-F-H-N","density":4.18524091857197,"density_atomic":0.23767167879948173,"volume":269.2790336790416,"volume_molar":2.533806632081202,"formula_full":"B8 H24 N8 F24","formula_reduced":"BH3NF3","formula_anonymous":"ABC3D3","formation_energy":12.044343583838833,"spacegroup":57},{"id":"oqmd-300398","created_at":"2022-09-04T14:49:46.140250Z","updated_at":"2022-09-04T14:49:46.140278Z","structure_string":"Be1 H3\n1.0\n-1.147498 1.147498 3.202293\n1.147498 -1.147498 3.202293\n1.147498 1.147498 -3.202293\nBe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 H\n0.750001 0.250001 0.500001 H\n0.250001 0.750001 0.500001 H\n","nsites":4,"nelements":2,"elements":["Be","H"],"chemical_system":"Be-H","density":1.1849674390601932,"density_atomic":0.23715651481291775,"volume":16.866498494276755,"volume_molar":2.539310701521567,"formula_full":"Be1 H3","formula_reduced":"BeH3","formula_anonymous":"AB3","formation_energy":0.657617500861869,"spacegroup":139},{"id":"oqmd-1603163","created_at":"2022-09-04T16:00:02.644999Z","updated_at":"2022-09-04T16:00:02.645025Z","structure_string":"H5 O1\n1.0\n2.440559 0.000000 0.000000\n-1.220280 2.113586 0.000000\n0.000000 0.000000 4.908553\nH O\n5 1\ndirect\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 O\n","nsites":6,"nelements":2,"elements":["H","O"],"chemical_system":"H-O","density":1.379791724837361,"density_atomic":0.23696736046671088,"volume":25.319942747317214,"volume_molar":2.5413376543247557,"formula_full":"H5 O1","formula_reduced":"H5O","formula_anonymous":"AB5","formation_energy":0.3381282172000611,"spacegroup":191}]}