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=nelements&page=13",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=11",
"results": [
{
"id": "oqmd-598515",
"created_at": "2022-09-04T15:15:51.130849Z",
"updated_at": "2022-09-04T15:15:51.130866Z",
"structure_string": "Cd2\n1.0\n2.988186 0.000000 0.000000\n-1.494093 2.587855 0.000000\n0.000000 0.000000 5.635583\nCd\n2\ndirect\n0.333301 0.666602 0.250001 Cd\n0.666699 0.333400 0.750000 Cd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.56646191809034,
"density_atomic": 0.04589269689242821,
"volume": 43.57991871098728,
"volume_molar": 13.122220239346158,
"formula_full": "Cd2",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.0012516799999999,
"spacegroup": 194
},
{
"id": "oqmd-8009",
"created_at": "2022-09-04T15:15:34.315254Z",
"updated_at": "2022-09-04T15:15:34.315273Z",
"structure_string": "U30\n1.0\n10.440965 0.000000 0.000000\n0.000000 10.440965 0.000000\n0.000000 0.000000 5.643716\nU\n30\ndirect\n0.364030 0.048440 0.000000 U\n0.109930 0.109930 0.000000 U\n0.556203 0.233041 0.000000 U\n0.048440 0.364030 0.000000 U\n0.766959 0.443796 0.000000 U\n0.500000 0.500000 0.000000 U\n0.233041 0.556203 0.000000 U\n0.951560 0.635971 0.000000 U\n0.443796 0.766959 0.000000 U\n0.890068 0.890068 0.000000 U\n0.635971 0.951560 0.000000 U\n0.821136 0.178863 0.225729 U\n0.178863 0.821136 0.225729 U\n0.321137 0.321137 0.274270 U\n0.678863 0.678863 0.274270 U\n0.000000 0.000000 0.500000 U\n0.266959 0.056203 0.500000 U\n0.548440 0.135971 0.500000 U\n0.056203 0.266959 0.500000 U\n0.609931 0.390069 0.500000 U\n0.864029 0.451560 0.500000 U\n0.135971 0.548440 0.500000 U\n0.390069 0.609931 0.500000 U\n0.943797 0.733041 0.500000 U\n0.451560 0.864029 0.500000 U\n0.733041 0.943797 0.500000 U\n0.321137 0.321137 0.725729 U\n0.678863 0.678863 0.725729 U\n0.821136 0.178863 0.774270 U\n0.178863 0.821136 0.774270 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.273191156883875,
"density_atomic": 0.04876124924541806,
"volume": 615.2426458355967,
"volume_molar": 12.350259382589305,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 0.1031322916667,
"spacegroup": 136
},
{
"id": "oqmd-2472",
"created_at": "2022-09-04T15:15:34.740818Z",
"updated_at": "2022-09-04T15:15:34.740827Z",
"structure_string": "U30\n1.0\n10.407880 0.000000 0.000000\n0.000000 10.407880 0.000000\n0.000000 0.000000 5.705718\nU\n30\ndirect\n0.500000 0.500000 0.017779 U\n0.555778 0.228691 0.035761 U\n0.771310 0.444222 0.035761 U\n0.228691 0.555778 0.035761 U\n0.444222 0.771310 0.035761 U\n0.109907 0.109907 0.054251 U\n0.890093 0.890093 0.054251 U\n0.823019 0.176981 0.233776 U\n0.176981 0.823019 0.233776 U\n0.323348 0.323348 0.284770 U\n0.676652 0.676652 0.284770 U\n0.549855 0.141130 0.476895 U\n0.858870 0.450145 0.476895 U\n0.141130 0.549855 0.476895 U\n0.450145 0.858870 0.476895 U\n0.000000 0.000000 0.517779 U\n0.271309 0.055778 0.535759 U\n0.055778 0.271309 0.535759 U\n0.944222 0.728691 0.535759 U\n0.728691 0.944222 0.535759 U\n0.609907 0.390093 0.554251 U\n0.390093 0.609907 0.554251 U\n0.323019 0.323019 0.733776 U\n0.676981 0.676981 0.733776 U\n0.823348 0.176652 0.784771 U\n0.176652 0.823348 0.784771 U\n0.358870 0.049855 0.976895 U\n0.049855 0.358870 0.976895 U\n0.950145 0.641130 0.976895 U\n0.641130 0.950145 0.976895 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.18515022686968,
"density_atomic": 0.04853850534705294,
"volume": 618.0660031762078,
"volume_molar": 12.406934900325767,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 0.0925398426666995,
"spacegroup": 102
},
{
"id": "oqmd-1214586",
"created_at": "2022-09-04T15:16:14.902822Z",
"updated_at": "2022-09-04T15:16:14.902850Z",
"structure_string": "Y1\n1.0\n0.000000 2.527896 -2.527896\n2.527896 0.000000 2.527896\n0.000000 -2.527896 -2.527896\nY\n1\ndirect\n0.000000 0.000000 0.000000 Y\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.569533148705819,
"density_atomic": 0.030952262239776367,
"volume": 32.307816218838845,
"volume_molar": 19.456221691805847,
"formula_full": "Y1",
"formula_reduced": "Y",
"formula_anonymous": "A",
"formation_energy": 0.0241223549999994,
"spacegroup": 225
},
{
"id": "oqmd-610556",
"created_at": "2022-09-04T15:15:51.315930Z",
"updated_at": "2022-09-04T15:15:51.315960Z",
"structure_string": "C8\n1.0\n2.437119 -2.764939 0.000000\n2.437119 2.764939 0.000000\n0.000000 0.000000 4.269805\nC\n8\ndirect\n0.000000 0.500000 0.157148 C\n0.500000 0.000000 0.157148 C\n0.849688 0.150313 0.319272 C\n0.150313 0.849688 0.319272 C\n0.849688 0.150313 0.680729 C\n0.150313 0.849688 0.680729 C\n0.000000 0.500000 0.842851 C\n0.500000 0.000000 0.842851 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.7727267793206276,
"density_atomic": 0.1390239616330494,
"volume": 57.54403705683355,
"volume_molar": 4.331728638186347,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.49887465125,
"spacegroup": 65
},
{
"id": "oqmd-82345",
"created_at": "2022-09-04T15:15:51.321090Z",
"updated_at": "2022-09-04T15:15:51.321126Z",
"structure_string": "H2\n1.0\n1.728733 0.000000 0.000000\n-0.864366 1.915905 0.000018\n0.000000 0.000020 1.886999\nH\n2\ndirect\n0.249591 0.499182 0.251479 H\n0.750401 0.500810 0.748517 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.5355995586156471,
"density_atomic": 0.3200047556493389,
"volume": 6.249907117604213,
"volume_molar": 1.881891019956922,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.900861765,
"spacegroup": 69
},
{
"id": "oqmd-594006",
"created_at": "2022-09-04T15:15:49.731162Z",
"updated_at": "2022-09-04T15:15:49.731178Z",
"structure_string": "Be4\n1.0\n2.422163 0.000000 0.000000\n0.000000 3.630184 0.000000\n0.000000 0.000000 3.584591\nBe\n4\ndirect\n0.749983 0.250001 0.250017 Be\n0.250016 0.749998 0.250017 Be\n0.249983 0.249998 0.749982 Be\n0.750016 0.750003 0.749982 Be\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.899185685950442,
"density_atomic": 0.12690781804143722,
"volume": 31.51894076922781,
"volume_molar": 4.745287447959814,
"formula_full": "Be4",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.10316885,
"spacegroup": 229
},
{
"id": "oqmd-594521",
"created_at": "2022-09-04T15:15:50.078932Z",
"updated_at": "2022-09-04T15:15:50.078953Z",
"structure_string": "Au1\n1.0\n2.064225 -2.064225 0.000000\n-2.064225 0.000000 -2.064225\n2.064225 2.064225 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.592616916041482,
"density_atomic": 0.056845868195963975,
"volume": 17.59142804456278,
"volume_molar": 10.593805585376861,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.00363625,
"spacegroup": 225
},
{
"id": "oqmd-629871",
"created_at": "2022-09-04T15:15:50.095489Z",
"updated_at": "2022-09-04T15:15:50.095516Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.885572\n2.238512 2.238512 1.942787\n2.238512 -2.238512 -1.942787\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7090364609519633,
"density_atomic": 0.025680069203507364,
"volume": 38.9407050298533,
"volume_molar": 23.450640698341655,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0283817099999999,
"spacegroup": 139
},
{
"id": "oqmd-593872",
"created_at": "2022-09-04T15:15:50.189559Z",
"updated_at": "2022-09-04T15:15:50.189580Z",
"structure_string": "Ca2\n1.0\n3.837411 0.000000 0.000000\n-1.918705 3.323136 0.000000\n0.000000 0.000000 6.336906\nCa\n2\ndirect\n0.333301 0.666602 0.250001 Ca\n0.666698 0.333393 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6471055772038232,
"density_atomic": 0.024749492579296123,
"volume": 80.80973755692571,
"volume_molar": 24.332380717323257,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0028394949999999,
"spacegroup": 194
},
{
"id": "oqmd-629868",
"created_at": "2022-09-04T15:15:44.129036Z",
"updated_at": "2022-09-04T15:15:44.129073Z",
"structure_string": "Ca4\n1.0\n0.000000 0.000000 6.409544\n3.614671 -3.614671 3.204773\n3.614671 3.614671 -3.204773\nCa\n4\ndirect\n0.328171 0.500000 0.156339 Ca\n0.171830 0.156339 0.500000 Ca\n0.828169 0.843660 0.500000 Ca\n0.671832 0.500000 0.843660 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5893533117505456,
"density_atomic": 0.023881704087134054,
"volume": 167.49223528629793,
"volume_molar": 25.216545427528125,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.162881395,
"spacegroup": 140
},
{
"id": "oqmd-117515",
"created_at": "2022-09-04T15:15:51.425800Z",
"updated_at": "2022-09-04T15:15:51.425814Z",
"structure_string": "Zr2\n1.0\n3.228109 0.000000 0.000000\n-1.614055 2.795588 0.000000\n0.000000 0.000000 5.174442\nZr\n2\ndirect\n0.333302 0.666604 0.250000 Zr\n0.666697 0.333397 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.487887683251981,
"density_atomic": 0.042829708056121,
"volume": 46.69655925226813,
"volume_molar": 14.06066264124195,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0003319400000005,
"spacegroup": 194
}
]
}