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=27",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=25",
"results": [
{
"id": "oqmd-1522340",
"created_at": "2022-09-04T15:54:09.999830Z",
"updated_at": "2022-09-04T15:54:09.999860Z",
"structure_string": "Hf1\n1.0\n-1.764036 1.764036 1.764036\n1.764036 -1.764036 1.764036\n1.764036 1.764036 -1.764036\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.498349356372914,
"density_atomic": 0.04554258495143975,
"volume": 21.95747125610591,
"volume_molar": 13.223098263792382,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"formation_energy": 0.1799246149999991,
"spacegroup": 229
},
{
"id": "oqmd-1522240",
"created_at": "2022-09-04T15:54:10.068137Z",
"updated_at": "2022-09-04T15:54:10.068162Z",
"structure_string": "Sb1\n1.0\n-1.892424 1.892424 1.892424\n1.892424 -1.892424 1.892424\n1.892424 1.892424 -1.892424\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.458275196304099,
"density_atomic": 0.03688796244619046,
"volume": 27.109114564371207,
"volume_molar": 16.325490378560946,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"formation_energy": 0.2276229349999998,
"spacegroup": 229
},
{
"id": "oqmd-1516578",
"created_at": "2022-09-04T15:55:37.271057Z",
"updated_at": "2022-09-04T15:55:37.271085Z",
"structure_string": "V30\n1.0\n9.189651 0.000000 0.000000\n0.000000 9.189651 0.000000\n0.000000 0.000000 4.735743\nV\n30\ndirect\n0.000000 0.000000 0.000000 V\n0.738976 0.067195 0.000000 V\n0.466146 0.128115 0.000000 V\n0.932805 0.261024 0.000000 V\n0.393363 0.393363 0.000000 V\n0.128115 0.466146 0.000000 V\n0.871885 0.533854 0.000000 V\n0.606637 0.606637 0.000000 V\n0.067195 0.738976 0.000000 V\n0.533854 0.871885 0.000000 V\n0.261024 0.932805 0.000000 V\n0.681300 0.318700 0.248360 V\n0.318700 0.681300 0.248360 V\n0.181300 0.181300 0.251640 V\n0.818700 0.818700 0.251640 V\n0.628115 0.033854 0.500000 V\n0.893363 0.106637 0.500000 V\n0.432805 0.238976 0.500000 V\n0.966146 0.371885 0.500000 V\n0.238976 0.432805 0.500000 V\n0.500000 0.500000 0.500000 V\n0.761024 0.567195 0.500000 V\n0.033854 0.628115 0.500000 V\n0.567195 0.761024 0.500000 V\n0.106637 0.893363 0.500000 V\n0.371885 0.966146 0.500000 V\n0.181300 0.181300 0.748360 V\n0.818700 0.818700 0.748360 V\n0.681300 0.318700 0.751640 V\n0.318700 0.681300 0.751640 V\n",
"nsites": 30,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.345354914399881,
"density_atomic": 0.07501275086104513,
"volume": 399.9320069673555,
"volume_molar": 8.028156134622385,
"formula_full": "V30",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.0444330819999994,
"spacegroup": 136
},
{
"id": "oqmd-1577066",
"created_at": "2022-09-04T15:56:02.852413Z",
"updated_at": "2022-09-04T15:56:02.852444Z",
"structure_string": "Ni29\n1.0\n-4.291933 4.291933 4.291933\n4.291933 -4.291933 4.291933\n4.291933 4.291933 -4.291933\nNi\n29\ndirect\n0.000000 0.000000 0.000000 Ni\n0.642522 0.000000 0.000000 Ni\n0.375340 0.190239 0.000000 Ni\n0.190239 0.375340 0.000000 Ni\n0.684344 0.407222 0.000000 Ni\n0.000000 0.642522 0.000000 Ni\n0.407222 0.684344 0.000000 Ni\n0.809761 0.809761 0.185101 Ni\n0.375340 0.000000 0.190239 Ni\n0.000000 0.375340 0.190239 Ni\n0.592778 0.592778 0.277122 Ni\n0.722878 0.315656 0.315656 Ni\n0.315656 0.722878 0.315656 Ni\n0.357478 0.357478 0.357478 Ni\n0.190239 0.000000 0.375340 Ni\n0.000000 0.190239 0.375340 Ni\n0.684344 0.000000 0.407222 Ni\n0.000000 0.684344 0.407222 Ni\n0.592778 0.277122 0.592778 Ni\n0.277122 0.592778 0.592778 Ni\n0.814899 0.624660 0.624660 Ni\n0.624660 0.814899 0.624660 Ni\n0.000000 0.000000 0.642522 Ni\n0.407222 0.000000 0.684344 Ni\n0.000000 0.407222 0.684344 Ni\n0.315656 0.315656 0.722878 Ni\n0.809761 0.185101 0.809761 Ni\n0.185101 0.809761 0.809761 Ni\n0.624660 0.624660 0.814899 Ni\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.937531202523486,
"density_atomic": 0.09170208399426273,
"volume": 316.24144988694434,
"volume_molar": 6.567070777122984,
"formula_full": "Ni29",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"formation_energy": 0.0938746931034488,
"spacegroup": 217
},
{
"id": "oqmd-1600680",
"created_at": "2022-09-04T15:58:20.235692Z",
"updated_at": "2022-09-04T15:58:20.235756Z",
"structure_string": "Ru24\n1.0\n4.982111 0.000000 0.000000\n-2.491055 4.314634 0.000000\n0.000000 0.000000 16.270468\nRu\n24\ndirect\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.081434 Ru\n0.333333 0.666667 0.128836 Ru\n0.666667 0.333333 0.151173 Ru\n0.159380 0.318760 0.250000 Ru\n0.159380 0.840620 0.250000 Ru\n0.681240 0.840620 0.250000 Ru\n0.666667 0.333333 0.348827 Ru\n0.333333 0.666667 0.371164 Ru\n0.000000 0.000000 0.418566 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.581434 Ru\n0.666667 0.333333 0.628836 Ru\n0.333333 0.666667 0.651173 Ru\n0.318760 0.159380 0.750000 Ru\n0.840620 0.159380 0.750000 Ru\n0.840620 0.681240 0.750000 Ru\n0.333333 0.666667 0.848827 Ru\n0.666667 0.333333 0.871164 Ru\n0.000000 0.000000 0.918566 Ru\n",
"nsites": 24,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 11.516624293445508,
"density_atomic": 0.06862049332060148,
"volume": 349.74974440754477,
"volume_molar": 8.77600913165107,
"formula_full": "Ru24",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"formation_energy": 0.540439768333334,
"spacegroup": 194
},
{
"id": "oqmd-1600951",
"created_at": "2022-09-04T15:58:28.912241Z",
"updated_at": "2022-09-04T15:58:28.912270Z",
"structure_string": "V24\n1.0\n4.891198 0.000000 0.000000\n-2.445599 4.235902 0.000000\n0.000000 0.000000 15.549159\nV\n24\ndirect\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.094215 V\n0.333333 0.666667 0.124303 V\n0.666667 0.333333 0.156682 V\n0.161372 0.322744 0.250000 V\n0.161372 0.838628 0.250000 V\n0.677256 0.838628 0.250000 V\n0.666667 0.333333 0.343318 V\n0.333333 0.666667 0.375697 V\n0.000000 0.000000 0.405785 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.594215 V\n0.666667 0.333333 0.624303 V\n0.333333 0.666667 0.656682 V\n0.322744 0.161372 0.750000 V\n0.838628 0.161372 0.750000 V\n0.838628 0.677256 0.750000 V\n0.333333 0.666667 0.843318 V\n0.666667 0.333333 0.875697 V\n0.000000 0.000000 0.905785 V\n",
"nsites": 24,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.30179129287097,
"density_atomic": 0.0744977556980579,
"volume": 322.1573559514043,
"volume_molar": 8.083653935036587,
"formula_full": "V24",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.108646370833334,
"spacegroup": 194
},
{
"id": "oqmd-1743862",
"created_at": "2022-09-04T16:02:40.744628Z",
"updated_at": "2022-09-04T16:02:40.744653Z",
"structure_string": "Br12\n1.0\n6.544572 0.000000 0.000000\n-3.194713 7.221857 0.000000\n-1.263183 -2.274930 9.075678\nBr\n12\ndirect\n0.858396 0.168122 0.029087 Br\n0.647493 0.565867 0.128937 Br\n0.005018 0.831060 0.268931 Br\n0.819586 0.211870 0.276624 Br\n0.311249 0.245926 0.427296 Br\n0.348175 0.744015 0.430921 Br\n0.651825 0.255985 0.569079 Br\n0.688751 0.754074 0.572704 Br\n0.180414 0.788130 0.723376 Br\n0.994982 0.168940 0.731069 Br\n0.352507 0.434133 0.871063 Br\n0.141604 0.831878 0.970913 Br\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.711843444436935,
"density_atomic": 0.027975124786252584,
"volume": 428.95251019208996,
"volume_molar": 21.52676996443417,
"formula_full": "Br12",
"formula_reduced": "Br",
"formula_anonymous": "A",
"formation_energy": 0.0682643433333332,
"spacegroup": 2
},
{
"id": "oqmd-1748726",
"created_at": "2022-09-04T16:02:47.916917Z",
"updated_at": "2022-09-04T16:02:47.916939Z",
"structure_string": "Se12\n1.0\n8.670313 0.000000 0.000000\n0.000000 4.318162 0.000000\n-1.062232 0.000000 8.348264\nSe\n12\ndirect\n0.370473 0.046295 0.044671 Se\n0.759629 0.485422 0.065728 Se\n0.686798 0.013325 0.185930 Se\n0.076186 0.453364 0.206877 Se\n0.365962 0.388603 0.279562 Se\n0.079952 0.888239 0.472233 Se\n0.370473 0.953705 0.544671 Se\n0.759629 0.514578 0.565728 Se\n0.686798 0.986675 0.685930 Se\n0.076186 0.546636 0.706877 Se\n0.365962 0.611397 0.779562 Se\n0.079952 0.111761 0.972233 Se\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 5.033934977820765,
"density_atomic": 0.038392939492908264,
"volume": 312.5574691205026,
"volume_molar": 15.685542288608502,
"formula_full": "Se12",
"formula_reduced": "Se",
"formula_anonymous": "A",
"formation_energy": 0.1445098491666669,
"spacegroup": 14
},
{
"id": "oqmd-7512",
"created_at": "2022-09-04T14:48:47.984747Z",
"updated_at": "2022-09-04T14:48:47.984780Z",
"structure_string": "Tc1\n1.0\n1.938246 -1.938246 0.000000\n-1.938246 0.000000 -1.938246\n1.938246 1.938246 0.000000\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.174252696709535,
"density_atomic": 0.06866624760270348,
"volume": 14.56319567345382,
"volume_molar": 8.77016142609619,
"formula_full": "Tc1",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"formation_energy": 0.0685293750000007,
"spacegroup": 225
},
{
"id": "oqmd-7519",
"created_at": "2022-09-04T14:48:48.074273Z",
"updated_at": "2022-09-04T14:48:48.074301Z",
"structure_string": "Re1\n1.0\n1.955088 -1.955088 0.000000\n-1.955088 0.000000 -1.955088\n1.955088 1.955088 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.687888873954822,
"density_atomic": 0.06690692555556337,
"volume": 14.946135870038482,
"volume_molar": 9.000773402745681,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"formation_energy": 0.062048055,
"spacegroup": 225
},
{
"id": "oqmd-8138",
"created_at": "2022-09-04T14:48:48.695482Z",
"updated_at": "2022-09-04T14:48:48.695506Z",
"structure_string": "Eu1\n1.0\n2.161074 2.161074 2.161074\n2.161074 -2.161074 -2.161074\n-2.161074 2.161074 -2.161074\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 6.250588486180252,
"density_atomic": 0.024770290140836673,
"volume": 40.370944155853266,
"volume_molar": 24.311950832064777,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 229
},
{
"id": "oqmd-1215259",
"created_at": "2022-09-04T15:39:04.726977Z",
"updated_at": "2022-09-04T15:39:04.727004Z",
"structure_string": "Nb2\n1.0\n2.678178 -0.000000 0.000000\n1.339089 2.802851 0.000000\n0.000000 0.000000 4.969820\nNb\n2\ndirect\n0.865779 0.268444 0.249999 Nb\n0.134223 0.731555 0.749999 Nb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.270742938958092,
"density_atomic": 0.05361050359016695,
"volume": 37.306122234726274,
"volume_molar": 11.233135965364369,
"formula_full": "Nb2",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"formation_energy": 0.197684789999999,
"spacegroup": 63
}
]
}