HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=9",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&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
}
]
}