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=chemical_system&page=87",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=chemical_system&page=85",
"results": [
{
"id": "oqmd-1080220",
"created_at": "2022-09-04T15:44:52.096858Z",
"updated_at": "2022-09-04T15:44:52.096874Z",
"structure_string": "Ac2 Bi2 As2 O2\n1.0\n4.426120 0.000000 0.000000\n0.000000 4.426120 0.000000\n0.000000 0.000000 10.322537\nAc As Bi O\n2 2 2 2\ndirect\n0.000000 0.500000 0.113821 Ac\n0.500000 0.000000 0.886179 Ac\n0.500000 0.000000 0.278748 As\n0.000000 0.500000 0.721252 As\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"Bi",
"O"
],
"chemical_system": "Ac-As-Bi-O",
"density": 8.653177829927554,
"density_atomic": 0.03956008082813474,
"volume": 202.22405598095943,
"volume_molar": 15.222771627193218,
"formula_full": "Ac2 Bi2 As2 O2",
"formula_reduced": "AcBiAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.57686001459469,
"spacegroup": 129
},
{
"id": "oqmd-1027294",
"created_at": "2022-09-04T15:29:34.026021Z",
"updated_at": "2022-09-04T15:29:34.026043Z",
"structure_string": "Ac2 Bi2 As2 O2\n1.0\n4.994344 0.000000 0.000000\n0.000000 4.994344 0.000000\n0.000000 0.000000 8.033568\nAc As Bi O\n2 2 2 2\ndirect\n0.750000 0.250001 0.500000 Ac\n0.250001 0.750000 0.500000 Ac\n0.750000 0.750000 0.282317 As\n0.250001 0.250001 0.717681 As\n0.250001 0.250001 0.066150 Bi\n0.750000 0.750000 0.933853 Bi\n0.750000 0.250001 0.000000 O\n0.250001 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"Bi",
"O"
],
"chemical_system": "Ac-As-Bi-O",
"density": 8.7325899310863,
"density_atomic": 0.03992313232231608,
"volume": 200.38507839045963,
"volume_molar": 15.084339353387277,
"formula_full": "Ac2 Bi2 As2 O2",
"formula_reduced": "AcBiAsO",
"formula_anonymous": "ABCD",
"formation_energy": -0.699525740844689,
"spacegroup": 129
},
{
"id": "oqmd-1080764",
"created_at": "2022-09-04T15:38:41.195732Z",
"updated_at": "2022-09-04T15:38:41.195753Z",
"structure_string": "Ac2 Bi2 As2 O2\n1.0\n3.531501 -3.532153 0.000000\n3.531501 3.532153 0.000000\n0.000000 0.000000 8.027848\nAc As Bi O\n2 2 2 2\ndirect\n0.750000 0.249999 0.500001 Ac\n0.249999 0.750000 0.500001 Ac\n0.750000 0.750000 0.282474 As\n0.250000 0.250000 0.717525 As\n0.250000 0.250000 0.066015 Bi\n0.750000 0.750000 0.933985 Bi\n0.750000 0.249999 0.000000 O\n0.249999 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"Bi",
"O"
],
"chemical_system": "Ac-As-Bi-O",
"density": 8.737364789788932,
"density_atomic": 0.039944961735732934,
"volume": 200.2755704943777,
"volume_molar": 15.076095953830565,
"formula_full": "Ac2 Bi2 As2 O2",
"formula_reduced": "AcBiAsO",
"formula_anonymous": "ABCD",
"formation_energy": -0.699455065844689,
"spacegroup": 129
},
{
"id": "oqmd-1027826",
"created_at": "2022-09-04T15:29:02.863934Z",
"updated_at": "2022-09-04T15:29:02.863969Z",
"structure_string": "Ac2 Bi2 As2 O2\n1.0\n4.430224 0.000000 0.000000\n0.000000 4.430224 0.000000\n0.000000 0.000000 10.343478\nAc As Bi O\n2 2 2 2\ndirect\n0.250003 0.250003 0.114085 Ac\n0.750000 0.750000 0.885916 Ac\n0.750000 0.750000 0.278567 As\n0.250003 0.250003 0.721432 As\n0.750000 0.250003 0.499999 Bi\n0.250003 0.750000 0.499999 Bi\n0.750000 0.250003 0.000000 O\n0.250003 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"Bi",
"O"
],
"chemical_system": "Ac-As-Bi-O",
"density": 8.619666829042565,
"density_atomic": 0.039406877238690775,
"volume": 203.01025000137224,
"volume_molar": 15.281953765388174,
"formula_full": "Ac2 Bi2 As2 O2",
"formula_reduced": "AcBiAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.58212776584469,
"spacegroup": 129
},
{
"id": "oqmd-1095689",
"created_at": "2022-09-04T15:46:49.432276Z",
"updated_at": "2022-09-04T15:46:49.432299Z",
"structure_string": "Ac2 Bi2 As2 O2\n1.0\n4.456850 0.000000 0.000000\n0.000000 8.210112 0.000000\n0.000000 0.000000 6.464617\nAc As Bi O\n2 2 2 2\ndirect\n0.000000 0.706018 0.447969 Ac\n0.000000 0.293982 0.947969 Ac\n0.000000 0.320853 0.442943 As\n0.000000 0.679147 0.942943 As\n0.500000 0.878320 0.016853 Bi\n0.500000 0.121680 0.516853 Bi\n0.500000 0.753921 0.346231 O\n0.500000 0.246079 0.846231 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"Bi",
"O"
],
"chemical_system": "Ac-As-Bi-O",
"density": 7.3975608517676,
"density_atomic": 0.03381972622992097,
"volume": 236.54833707442148,
"volume_molar": 17.80659228007616,
"formula_full": "Ac2 Bi2 As2 O2",
"formula_reduced": "AcBiAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.35465433209469,
"spacegroup": 26
},
{
"id": "oqmd-1095686",
"created_at": "2022-09-04T15:46:50.325607Z",
"updated_at": "2022-09-04T15:46:50.325641Z",
"structure_string": "Ac2 B2 As2 O2\n1.0\n4.064857 0.000000 0.000000\n0.000000 6.644696 0.000000\n0.000000 0.000000 6.307971\nAc As B O\n2 2 2 2\ndirect\n0.000000 0.264754 0.476971 Ac\n0.000000 0.735246 0.976971 Ac\n0.000000 0.790138 0.467358 As\n0.000000 0.209862 0.967358 As\n0.500000 0.656848 0.404141 B\n0.500000 0.343152 0.904141 B\n0.500000 0.451998 0.405528 O\n0.500000 0.548002 0.905528 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"B",
"O"
],
"chemical_system": "Ac-As-B-O",
"density": 6.407830256153187,
"density_atomic": 0.04695479087168494,
"volume": 170.37665063532899,
"volume_molar": 12.825402154291181,
"formula_full": "Ac2 B2 As2 O2",
"formula_reduced": "AcBAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.32980006459469,
"spacegroup": 26
},
{
"id": "oqmd-1080217",
"created_at": "2022-09-04T15:44:48.219813Z",
"updated_at": "2022-09-04T15:44:48.219827Z",
"structure_string": "Ac2 B2 As2 O2\n1.0\n4.177725 0.000000 0.000000\n0.000000 4.177725 0.000000\n0.000000 0.000000 7.953134\nAc As B O\n2 2 2 2\ndirect\n0.000000 0.499999 0.163464 Ac\n0.499999 0.000000 0.836536 Ac\n0.499999 0.000000 0.396996 As\n0.000000 0.499999 0.603004 As\n0.000000 0.000000 0.500000 B\n0.499999 0.499999 0.500000 B\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"B",
"O"
],
"chemical_system": "Ac-As-B-O",
"density": 7.865078783594202,
"density_atomic": 0.057633101176231175,
"volume": 138.80911900849316,
"volume_molar": 10.449100668009217,
"formula_full": "Ac2 B2 As2 O2",
"formula_reduced": "AcBAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.45137463459469,
"spacegroup": 129
},
{
"id": "oqmd-1096042",
"created_at": "2022-09-04T15:47:00.764039Z",
"updated_at": "2022-09-04T15:47:00.764070Z",
"structure_string": "Ac2 B2 As2 O2\n1.0\n4.413604 0.000000 0.000000\n0.000000 4.549816 0.000000\n0.000000 0.000000 6.753541\nAc As B O\n2 2 2 2\ndirect\n0.000000 0.280466 0.103091 Ac\n0.000000 0.719535 0.603091 Ac\n0.500000 0.792322 0.257634 As\n0.500000 0.207679 0.757634 As\n0.500000 0.165099 0.445745 B\n0.500000 0.834902 0.945745 B\n0.000000 0.225589 0.447527 O\n0.000000 0.774411 0.947527 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"B",
"O"
],
"chemical_system": "Ac-As-B-O",
"density": 8.050119664639373,
"density_atomic": 0.058989029083941436,
"volume": 135.61843827970102,
"volume_molar": 10.20891656214665,
"formula_full": "Ac2 B2 As2 O2",
"formula_reduced": "AcBAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.00554005459469,
"spacegroup": 26
},
{
"id": "oqmd-1027291",
"created_at": "2022-09-04T15:28:59.291002Z",
"updated_at": "2022-09-04T15:28:59.291029Z",
"structure_string": "Ac2 B2 As2 O2\n1.0\n4.593874 0.000000 0.000000\n0.000000 4.593874 0.000000\n0.000000 0.000000 7.396929\nAc As B O\n2 2 2 2\ndirect\n0.750001 0.250003 0.499999 Ac\n0.250003 0.750001 0.499999 Ac\n0.750001 0.750001 0.315770 As\n0.250003 0.250003 0.684229 As\n0.250003 0.250003 0.146497 B\n0.750001 0.750001 0.853503 B\n0.750001 0.250003 0.000000 O\n0.250003 0.750001 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"B",
"O"
],
"chemical_system": "Ac-As-B-O",
"density": 6.993771942877584,
"density_atomic": 0.051248407940696246,
"volume": 156.10241023013748,
"volume_molar": 11.7508835922644,
"formula_full": "Ac2 B2 As2 O2",
"formula_reduced": "AcBAsO",
"formula_anonymous": "ABCD",
"formation_energy": 1.44904201415531,
"spacegroup": 129
},
{
"id": "oqmd-1027635",
"created_at": "2022-09-04T15:28:59.809990Z",
"updated_at": "2022-09-04T15:28:59.810022Z",
"structure_string": "Ac2 B2 As2 O2\n1.0\n4.176313 0.000000 0.000000\n0.000000 4.176313 0.000000\n0.000000 0.000000 7.962865\nAc As B O\n2 2 2 2\ndirect\n0.250003 0.250003 0.163404 Ac\n0.750001 0.750001 0.836598 Ac\n0.750001 0.750001 0.397017 As\n0.250003 0.250003 0.602983 As\n0.750001 0.250003 0.500000 B\n0.250003 0.750001 0.500000 B\n0.750001 0.250003 0.000000 O\n0.250003 0.750001 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"As",
"B",
"O"
],
"chemical_system": "Ac-As-B-O",
"density": 7.8607800049568475,
"density_atomic": 0.05760160092671585,
"volume": 138.88502873692818,
"volume_molar": 10.45481490638033,
"formula_full": "Ac2 B2 As2 O2",
"formula_reduced": "AcBAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.45145077334469,
"spacegroup": 129
},
{
"id": "oqmd-380192",
"created_at": "2022-09-04T14:53:42.762869Z",
"updated_at": "2022-09-04T14:53:42.762894Z",
"structure_string": "Ca1 Ac1 As2\n1.0\n0.000000 3.773845 3.773845\n3.773845 0.000000 3.773845\n3.773845 3.773845 0.000000\nAc As Ca\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 As\n0.499999 0.499999 0.499999 As\n0.750000 0.750000 0.750000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"As",
"Ca"
],
"chemical_system": "Ac-As-Ca",
"density": 6.440519575342183,
"density_atomic": 0.03721155505035442,
"volume": 107.49349213133466,
"volume_molar": 16.183523509971245,
"formula_full": "Ca1 Ac1 As2",
"formula_reduced": "CaAcAs2",
"formula_anonymous": "ABC2",
"formation_energy": -1.012594449375,
"spacegroup": 225
},
{
"id": "oqmd-851054",
"created_at": "2022-09-04T15:37:25.187381Z",
"updated_at": "2022-09-04T15:37:25.187403Z",
"structure_string": "Ca1 Ac1 As1\n1.0\n0.000000 3.785907 3.785907\n3.785907 0.000000 3.785907\n3.785907 3.785907 0.000000\nAc As Ca\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 Ca\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"As",
"Ca"
],
"chemical_system": "Ac-As-Ca",
"density": 5.232808910992614,
"density_atomic": 0.027642762017619282,
"volume": 108.52750525030108,
"volume_molar": 21.7855970982984,
"formula_full": "Ca1 Ac1 As1",
"formula_reduced": "CaAcAs",
"formula_anonymous": "ABC",
"formation_energy": 0.0736881124999999,
"spacegroup": 216
}
]
}