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=volume_molar&page=55",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=53",
"results": [
{
"id": "oqmd-5539",
"created_at": "2022-09-04T14:49:17.043694Z",
"updated_at": "2022-09-04T14:49:17.043740Z",
"structure_string": "H2\n1.0\n0.000000 0.000000 -2.790648\n-1.517271 -1.517271 1.395323\n-1.517271 1.517271 -1.395323\nH\n2\ndirect\n0.134091 0.000000 0.000000 H\n0.865906 0.000000 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2605267991586408,
"density_atomic": 0.15565698918861964,
"volume": 12.848764520149306,
"volume_molar": 3.8688534266216488,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 139
},
{
"id": "oqmd-1589501",
"created_at": "2022-09-04T15:57:19.493489Z",
"updated_at": "2022-09-04T15:57:19.493514Z",
"structure_string": "Be2 B4\n1.0\n0.000000 2.681262 2.681262\n2.681262 0.000000 2.681262\n2.681262 2.681262 0.000000\nB Be\n4 2\ndirect\n0.125000 0.125000 0.125000 B\n0.625000 0.125000 0.125000 B\n0.125000 0.625000 0.125000 B\n0.125000 0.125000 0.625000 B\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Be\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Be"
],
"chemical_system": "B-Be",
"density": 2.6389892797614536,
"density_atomic": 0.15563364720180764,
"volume": 38.55207474653535,
"volume_molar": 3.8694336785612866,
"formula_full": "Be2 B4",
"formula_reduced": "BeB2",
"formula_anonymous": "AB2",
"formation_energy": 0.6884028316666674,
"spacegroup": 227
},
{
"id": "oqmd-1060451",
"created_at": "2022-09-04T15:34:46.927433Z",
"updated_at": "2022-09-04T15:34:46.927453Z",
"structure_string": "Be2 B2 N2 O2\n1.0\n-1.289227 -2.233005 0.000000\n0.000000 0.000000 4.315396\n-4.000827 2.309878 0.000000\nB Be N O\n2 2 2 2\ndirect\n0.500002 0.991434 0.169241 B\n0.500000 0.491436 0.830760 B\n0.000000 0.504436 0.338468 Be\n0.000000 0.004438 0.661533 Be\n0.000000 0.893295 0.312753 N\n0.000000 0.393296 0.687248 N\n0.500000 0.364829 0.147996 O\n0.500000 0.864829 0.852003 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"B",
"Be",
"N",
"O"
],
"chemical_system": "B-Be-N-O",
"density": 3.2193248941643215,
"density_atomic": 0.15562919547208773,
"volume": 51.40423669050457,
"volume_molar": 3.8695443626321886,
"formula_full": "Be2 B2 N2 O2",
"formula_reduced": "BeBNO",
"formula_anonymous": "ABCD",
"formation_energy": -1.88788218905557,
"spacegroup": 26
},
{
"id": "oqmd-306404",
"created_at": "2022-09-04T15:03:14.361545Z",
"updated_at": "2022-09-04T15:03:14.361554Z",
"structure_string": "Be1 O1\n1.0\n2.342664 0.000000 0.000000\n0.000000 2.342664 0.000000\n0.000000 0.000000 2.342664\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.499999 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 3.2304293564646684,
"density_atomic": 0.1555607342757397,
"volume": 12.856714834316051,
"volume_molar": 3.871247322171567,
"formula_full": "Be1 O1",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"formation_energy": -1.26312621793938,
"spacegroup": 221
},
{
"id": "oqmd-1367887",
"created_at": "2022-09-04T15:48:45.783415Z",
"updated_at": "2022-09-04T15:48:45.783438Z",
"structure_string": "Cr1 Co3 H4\n1.0\n3.718759 0.000000 0.000000\n0.000000 3.718759 0.000000\n0.000000 0.000000 3.718759\nCo Cr H\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Cr",
"H"
],
"chemical_system": "Co-Cr-H",
"density": 7.517772296739749,
"density_atomic": 0.1555592657497596,
"volume": 51.427344822192715,
"volume_molar": 3.871283867903771,
"formula_full": "Cr1 Co3 H4",
"formula_reduced": "CrCo3H4",
"formula_anonymous": "AB3C4",
"formation_energy": 0.0056279339079123,
"spacegroup": 221
},
{
"id": "oqmd-1473752",
"created_at": "2022-09-04T15:51:48.080603Z",
"updated_at": "2022-09-04T15:51:48.080628Z",
"structure_string": "Ti1 H4\n1.0\n-1.719270 1.719270 2.720377\n1.719270 -1.719270 2.720377\n1.719270 1.719270 -2.720377\nH Ti\n4 1\ndirect\n0.340120 0.340120 0.000000 H\n0.659880 0.659880 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 5,
"nelements": 2,
"elements": [
"H",
"Ti"
],
"chemical_system": "H-Ti",
"density": 2.6793461405006913,
"density_atomic": 0.15545072375943036,
"volume": 32.16453342306601,
"volume_molar": 3.8739869550685637,
"formula_full": "Ti1 H4",
"formula_reduced": "TiH4",
"formula_anonymous": "AB4",
"formation_energy": 0.417170981495407,
"spacegroup": 139
},
{
"id": "oqmd-1444378",
"created_at": "2022-09-04T15:50:47.844417Z",
"updated_at": "2022-09-04T15:50:47.844440Z",
"structure_string": "Pd8 O16\n1.0\n-4.978736 4.978736 1.557147\n4.978736 -4.978736 1.557147\n4.978736 4.978736 -1.557147\nO Pd\n16 8\ndirect\n0.196299 0.850514 0.046813 O\n0.850514 0.196299 0.046813 O\n0.450403 0.822321 0.272724 O\n0.822321 0.450403 0.272724 O\n0.149486 0.196299 0.345786 O\n0.196299 0.149486 0.345786 O\n0.822321 0.549597 0.371918 O\n0.549597 0.822321 0.371918 O\n0.450403 0.177679 0.628082 O\n0.177679 0.450403 0.628082 O\n0.850514 0.803701 0.654214 O\n0.803701 0.850514 0.654214 O\n0.549597 0.177679 0.727276 O\n0.177679 0.549597 0.727276 O\n0.803701 0.149486 0.953187 O\n0.149486 0.803701 0.953187 O\n0.829317 0.352425 0.181742 Pd\n0.352425 0.829317 0.181742 Pd\n0.829317 0.647575 0.476891 Pd\n0.647575 0.829317 0.476891 Pd\n0.352425 0.170683 0.523109 Pd\n0.170683 0.352425 0.523109 Pd\n0.647575 0.170683 0.818258 Pd\n0.170683 0.647575 0.818258 Pd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"O",
"Pd"
],
"chemical_system": "O-Pd",
"density": 11.909851959913349,
"density_atomic": 0.15544739217103298,
"volume": 154.3930693516794,
"volume_molar": 3.8740699833510637,
"formula_full": "Pd8 O16",
"formula_reduced": "PdO2",
"formula_anonymous": "AB2",
"formation_energy": -0.5746170647525025,
"spacegroup": 139
},
{
"id": "oqmd-1718884",
"created_at": "2022-09-04T16:03:16.184802Z",
"updated_at": "2022-09-04T16:03:16.184832Z",
"structure_string": "Cr2 Co1 H6\n1.0\n0.000000 3.070561 3.070561\n3.070561 0.000000 3.070561\n3.070561 3.070561 0.000000\nCo Cr H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.742247 0.257753 0.257753 H\n0.257753 0.742247 0.257753 H\n0.742247 0.742247 0.257753 H\n0.257753 0.257753 0.742247 H\n0.742247 0.257753 0.742247 H\n0.257753 0.742247 0.742247 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Cr",
"H"
],
"chemical_system": "Co-Cr-H",
"density": 4.8459989746323275,
"density_atomic": 0.1554387607603959,
"volume": 57.90061601091394,
"volume_molar": 3.8742851078714833,
"formula_full": "Cr2 Co1 H6",
"formula_reduced": "Cr2CoH6",
"formula_anonymous": "AB2C6",
"formation_energy": 0.1247083485438827,
"spacegroup": 225
},
{
"id": "oqmd-1368950",
"created_at": "2022-09-04T15:48:48.375405Z",
"updated_at": "2022-09-04T15:48:48.375432Z",
"structure_string": "Mn3 Cr1 H4\n1.0\n3.720671 0.000000 0.000000\n0.000000 3.720671 0.000000\n0.000000 0.000000 3.720671\nCr H Mn\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.000000 H\n0.000000 0.500001 0.000000 H\n0.000000 0.000000 0.500001 H\n0.500001 0.500001 0.500001 H\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Mn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"H",
"Mn"
],
"chemical_system": "Cr-H-Mn",
"density": 7.11978618333569,
"density_atomic": 0.1553195698742636,
"volume": 51.506709724191666,
"volume_molar": 3.8772582005442877,
"formula_full": "Mn3 Cr1 H4",
"formula_reduced": "Mn3CrH4",
"formula_anonymous": "AB3C4",
"formation_energy": -0.0511143075145002,
"spacegroup": 221
},
{
"id": "oqmd-23501",
"created_at": "2022-09-04T15:18:05.199761Z",
"updated_at": "2022-09-04T15:18:05.199791Z",
"structure_string": "H24 O12\n1.0\n7.779629 0.005585 0.001837\n-0.119035 7.862585 0.000469\n-0.001086 -0.000453 3.789208\nH O\n24 12\ndirect\n0.844663 0.420709 0.001895 H\n0.569920 0.850441 0.009341 H\n0.094572 0.543442 0.100074 H\n0.900889 0.039945 0.157021 H\n0.275105 0.776971 0.185015 H\n0.719592 0.219139 0.207641 H\n0.429730 0.349191 0.234499 H\n0.145626 0.924204 0.259563 H\n0.275164 0.223422 0.304082 H\n0.547173 0.596734 0.350513 H\n0.047411 0.404418 0.401771 H\n0.776798 0.777361 0.437785 H\n0.650599 0.079769 0.501196 H\n0.926908 0.649796 0.510287 H\n0.400602 0.956667 0.598865 H\n0.594469 0.461695 0.656993 H\n0.219754 0.724066 0.685507 H\n0.775539 0.281667 0.707716 H\n0.066245 0.152686 0.735636 H\n0.349989 0.577632 0.759817 H\n0.220993 0.278550 0.804306 H\n0.949230 0.905106 0.850648 H\n0.448002 0.095772 0.900255 H\n0.720759 0.723505 0.937462 H\n0.996984 0.999726 0.001380 O\n0.363993 0.252580 0.120469 O\n0.634067 0.754336 0.123396 O\n0.998590 0.498581 0.252972 O\n0.245997 0.863804 0.370778 O\n0.755788 0.136011 0.394074 O\n0.498628 0.502504 0.501498 O\n0.132074 0.249084 0.620861 O\n0.863307 0.746510 0.623868 O\n0.496653 0.001500 0.751805 O\n0.249278 0.637391 0.871183 O\n0.739406 0.364787 0.894134 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.548794941625573,
"density_atomic": 0.1553191704497807,
"volume": 231.780789813321,
"volume_molar": 3.8772681714438706,
"formula_full": "H24 O12",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"formation_energy": -1.15191695174904,
"spacegroup": 4
},
{
"id": "oqmd-1576333",
"created_at": "2022-09-04T15:56:25.940526Z",
"updated_at": "2022-09-04T15:56:25.940554Z",
"structure_string": "Co1 Cu2 Ni1 H6\n1.0\n0.000000 3.181253 3.181253\n3.181253 0.000000 3.181253\n3.181253 3.181253 0.000000\nCo Cu H Ni\n1 2 6 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.753281 0.246719 0.246719 H\n0.246719 0.753281 0.246719 H\n0.753281 0.753281 0.246719 H\n0.246719 0.246719 0.753281 H\n0.753281 0.246719 0.753281 H\n0.246719 0.753281 0.753281 H\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"Cu",
"H",
"Ni"
],
"chemical_system": "Co-Cu-H-Ni",
"density": 6.466861109906503,
"density_atomic": 0.15530140209141444,
"volume": 64.39091898290616,
"volume_molar": 3.877711777808169,
"formula_full": "Co1 Cu2 Ni1 H6",
"formula_reduced": "CoCu2NiH6",
"formula_anonymous": "ABC2D6",
"formation_energy": 0.1759673636894952,
"spacegroup": 225
},
{
"id": "oqmd-309503",
"created_at": "2022-09-04T14:50:04.535110Z",
"updated_at": "2022-09-04T14:50:04.535131Z",
"structure_string": "B3 C1\n1.0\n0.000000 2.344288 2.344288\n2.344288 0.000000 2.344288\n2.344288 2.344288 0.000000\nB C\n3 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250001 0.250001 0.250001 B\n0.500000 0.500000 0.500000 B\n0.750002 0.750002 0.750002 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.864154331819503,
"density_atomic": 0.15523766518576493,
"volume": 25.766942547180196,
"volume_molar": 3.8793038743488024,
"formula_full": "B3 C1",
"formula_reduced": "B3C",
"formula_anonymous": "AB3",
"formation_energy": 2.398223310625,
"spacegroup": 225
}
]
}