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&page=74",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density&page=72",
"results": [
{
"id": "oqmd-1577355",
"created_at": "2022-09-04T15:56:09.432456Z",
"updated_at": "2022-09-04T15:56:09.432470Z",
"structure_string": "Ti1 Re28\n1.0\n-4.792414 4.792414 4.792414\n4.792414 -4.792414 4.792414\n4.792414 4.792414 -4.792414\nRe Ti\n28 1\ndirect\n0.640062 0.000000 0.000000 Re\n0.374102 0.193740 0.000000 Re\n0.193740 0.374102 0.000000 Re\n0.684134 0.400465 0.000000 Re\n0.000000 0.640062 0.000000 Re\n0.400465 0.684134 0.000000 Re\n0.806260 0.806260 0.180362 Re\n0.374102 0.000000 0.193740 Re\n0.000000 0.374102 0.193740 Re\n0.599535 0.599535 0.283669 Re\n0.716331 0.315866 0.315866 Re\n0.315866 0.716331 0.315866 Re\n0.359938 0.359938 0.359938 Re\n0.193740 0.000000 0.374102 Re\n0.000000 0.193740 0.374102 Re\n0.684134 0.000000 0.400465 Re\n0.000000 0.684134 0.400465 Re\n0.599535 0.283669 0.599535 Re\n0.283669 0.599535 0.599535 Re\n0.819638 0.625898 0.625898 Re\n0.625898 0.819638 0.625898 Re\n0.000000 0.000000 0.640062 Re\n0.400465 0.000000 0.684134 Re\n0.000000 0.400465 0.684134 Re\n0.315866 0.315866 0.716331 Re\n0.806260 0.180362 0.806260 Re\n0.180362 0.806260 0.806260 Re\n0.625898 0.625898 0.819638 Re\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Re",
"Ti"
],
"chemical_system": "Re-Ti",
"density": 19.844910766332504,
"density_atomic": 0.06586808268275661,
"volume": 440.2739357037914,
"volume_molar": 9.14272970264628,
"formula_full": "Ti1 Re28",
"formula_reduced": "TiRe28",
"formula_anonymous": "AB28",
"formation_energy": -0.0061383735788373,
"spacegroup": 217
},
{
"id": "oqmd-305955",
"created_at": "2022-09-04T15:03:02.540278Z",
"updated_at": "2022-09-04T15:03:02.540310Z",
"structure_string": "Re1 Au1\n1.0\n3.176910 0.000000 0.000000\n0.000000 3.176910 0.000000\n0.000000 0.000000 3.176910\nAu Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.500002 0.500002 0.500002 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"Re"
],
"chemical_system": "Au-Re",
"density": 19.844031444794787,
"density_atomic": 0.062375675315808767,
"volume": 32.06378111137037,
"volume_molar": 9.65463015752508,
"formula_full": "Re1 Au1",
"formula_reduced": "ReAu",
"formula_anonymous": "AB",
"formation_energy": 0.9048446175,
"spacegroup": 221
},
{
"id": "oqmd-1147404",
"created_at": "2022-09-04T15:49:31.778930Z",
"updated_at": "2022-09-04T15:49:31.778966Z",
"structure_string": "Re1 Ir1 W2\n1.0\n0.000000 3.148726 3.148726\n3.148726 0.000000 3.148726\n3.148726 3.148726 0.000000\nIr Re W\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ir\n0.500001 0.500001 0.500001 Re\n0.000000 0.000000 0.000000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Re",
"W"
],
"chemical_system": "Ir-Re-W",
"density": 19.843298219302017,
"density_atomic": 0.06406567184231177,
"volume": 62.435933082000794,
"volume_molar": 9.399949437543736,
"formula_full": "Re1 Ir1 W2",
"formula_reduced": "ReIrW2",
"formula_anonymous": "ABC2",
"formation_energy": 0.29253038375,
"spacegroup": 216
},
{
"id": "oqmd-1625870",
"created_at": "2022-09-04T15:59:02.471657Z",
"updated_at": "2022-09-04T15:59:02.471665Z",
"structure_string": "Re6 Pd1 Pt1\n1.0\n5.570287 0.000000 0.000000\n-2.785144 4.824010 0.000000\n0.000000 0.000000 4.418410\nPd Pt Re\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.500000 Pt\n0.508487 0.016973 0.000000 Re\n0.508487 0.491513 0.000000 Re\n0.983027 0.491513 0.000000 Re\n0.347293 0.173646 0.500000 Re\n0.826354 0.173646 0.500000 Re\n0.826354 0.652707 0.500000 Re\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pd",
"Pt",
"Re"
],
"chemical_system": "Pd-Pt-Re",
"density": 19.842754670738586,
"density_atomic": 0.06738111641386431,
"volume": 118.72762616254194,
"volume_molar": 8.937430960643578,
"formula_full": "Re6 Pd1 Pt1",
"formula_reduced": "Re6PdPt",
"formula_anonymous": "ABC6",
"formation_energy": -0.1467243562500009,
"spacegroup": 187
},
{
"id": "oqmd-1625878",
"created_at": "2022-09-04T15:59:04.197713Z",
"updated_at": "2022-09-04T15:59:04.197740Z",
"structure_string": "Re6 Ni1 Os1\n1.0\n5.495315 0.000000 0.000000\n-2.747657 4.759082 0.000000\n0.000000 0.000000 4.371611\nNi Os Re\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.000000 Os\n0.331117 0.165558 0.000000 Re\n0.834442 0.165558 0.000000 Re\n0.834442 0.668883 0.000000 Re\n0.505034 0.010067 0.500000 Re\n0.989933 0.494966 0.500000 Re\n0.505034 0.494966 0.500000 Re\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Os",
"Re"
],
"chemical_system": "Ni-Os-Re",
"density": 19.842440635855432,
"density_atomic": 0.06997335495240027,
"volume": 114.32923296935012,
"volume_molar": 8.606334174053242,
"formula_full": "Re6 Ni1 Os1",
"formula_reduced": "Re6NiOs",
"formula_anonymous": "ABC6",
"formation_energy": -0.0626050787499998,
"spacegroup": 187
},
{
"id": "oqmd-1145928",
"created_at": "2022-09-04T15:48:50.410587Z",
"updated_at": "2022-09-04T15:48:50.410613Z",
"structure_string": "Re2 Hg1 Os1\n1.0\n0.000000 3.172746 3.172746\n3.172746 0.000000 3.172746\n3.172746 3.172746 0.000000\nHg Os Re\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Hg\n0.500001 0.500001 0.500001 Os\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Os",
"Re"
],
"chemical_system": "Hg-Os-Re",
"density": 19.841335230206134,
"density_atomic": 0.0626215884847586,
"volume": 63.87573513842683,
"volume_molar": 9.616716703802114,
"formula_full": "Re2 Hg1 Os1",
"formula_reduced": "Re2HgOs",
"formula_anonymous": "ABC2",
"formation_energy": 0.950376048758434,
"spacegroup": 216
},
{
"id": "oqmd-459817",
"created_at": "2022-09-04T15:02:22.888750Z",
"updated_at": "2022-09-04T15:02:22.888774Z",
"structure_string": "Ta1 Re1 Ir2\n1.0\n0.000000 3.156649 3.156649\n3.156649 0.000000 3.156649\n3.156649 3.156649 0.000000\nIr Re Ta\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.250001 0.250001 0.250001 Re\n0.750001 0.750001 0.750001 Ta\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Re",
"Ta"
],
"chemical_system": "Ir-Re-Ta",
"density": 19.839036053317002,
"density_atomic": 0.0635844786299006,
"volume": 62.908434356792846,
"volume_molar": 9.471086167195663,
"formula_full": "Ta1 Re1 Ir2",
"formula_reduced": "TaReIr2",
"formula_anonymous": "ABC2",
"formation_energy": 0.187522431249999,
"spacegroup": 225
},
{
"id": "oqmd-1215605",
"created_at": "2022-09-04T15:39:07.823712Z",
"updated_at": "2022-09-04T15:39:07.823732Z",
"structure_string": "Ir2\n1.0\n0.000000 0.000000 -2.731122\n2.427378 2.427378 1.365560\n2.427378 -2.427378 -1.365560\nIr\n2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.499998 0.499998 Ir\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 19.834669513477174,
"density_atomic": 0.062141835414931366,
"volume": 32.1844372095814,
"volume_molar": 9.690960557874039,
"formula_full": "Ir2",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"formation_energy": 0.66833175,
"spacegroup": 141
},
{
"id": "oqmd-517686",
"created_at": "2022-09-04T15:09:50.539292Z",
"updated_at": "2022-09-04T15:09:50.539315Z",
"structure_string": "Pu1 Np2 Au1\n1.0\n0.000000 3.370878 3.370878\n3.370878 0.000000 3.370878\n3.370878 3.370878 0.000000\nAu Np Pu\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Au\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.749999 0.749999 0.749999 Pu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Au",
"Np",
"Pu"
],
"chemical_system": "Au-Np-Pu",
"density": 19.83331108933254,
"density_atomic": 0.052215674410331404,
"volume": 76.60534973782813,
"volume_molar": 11.533204977255753,
"formula_full": "Pu1 Np2 Au1",
"formula_reduced": "PuNp2Au",
"formula_anonymous": "ABC2",
"formation_energy": 0.486760985625001,
"spacegroup": 225
},
{
"id": "oqmd-518734",
"created_at": "2022-09-04T15:10:07.641887Z",
"updated_at": "2022-09-04T15:10:07.641915Z",
"structure_string": "Pu1 Np2 Tc1\n1.0\n0.000000 3.244733 3.244733\n3.244733 0.000000 3.244733\n3.244733 3.244733 0.000000\nNp Pu Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.249999 0.249999 0.249999 Pu\n0.749999 0.749999 0.749999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Pu",
"Tc"
],
"chemical_system": "Np-Pu-Tc",
"density": 19.832267123388203,
"density_atomic": 0.05854544325893992,
"volume": 68.32299453790877,
"volume_molar": 10.286267256299945,
"formula_full": "Pu1 Np2 Tc1",
"formula_reduced": "PuNp2Tc",
"formula_anonymous": "ABC2",
"formation_energy": 0.296673261874998,
"spacegroup": 225
},
{
"id": "oqmd-675537",
"created_at": "2022-09-04T15:39:28.363866Z",
"updated_at": "2022-09-04T15:39:28.363896Z",
"structure_string": "U2\n1.0\n2.788707 0.000000 0.000000\n1.394353 2.921998 0.000000\n0.000000 0.000000 4.891694\nU\n2\ndirect\n0.902335 0.195332 0.249999 U\n0.097665 0.804668 0.750000 U\n",
"nsites": 2,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.83200932295093,
"density_atomic": 0.05017506139809473,
"volume": 39.86043951459808,
"volume_molar": 12.002258875618784,
"formula_full": "U2",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 9.21150000010584e-05,
"spacegroup": 63
},
{
"id": "oqmd-994607",
"created_at": "2022-09-04T15:43:39.858816Z",
"updated_at": "2022-09-04T15:43:39.858842Z",
"structure_string": "Hf2 Ta2 Ti1\n1.0\n0.000000 3.178141 3.178141\n3.178141 0.000000 3.178141\n3.178141 3.178141 0.000000\nHf Ta Ti\n2 2 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"Ti"
],
"chemical_system": "Hf-Ta-Ti",
"density": 19.83121406948072,
"density_atomic": 0.07787902856061955,
"volume": 64.20213621576052,
"volume_molar": 7.732686027680071,
"formula_full": "Hf2 Ta2 Ti1",
"formula_reduced": "Hf2Ta2Ti",
"formula_anonymous": "AB2C2",
"formation_energy": 0.881268613737911,
"spacegroup": 225
}
]
}