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=69",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=67",
"results": [
{
"id": "oqmd-324679",
"created_at": "2022-09-04T14:51:10.460137Z",
"updated_at": "2022-09-04T14:51:10.460146Z",
"structure_string": "K6 Na2\n1.0\n8.601053 0.000000 0.000000\n-4.300527 7.448730 0.000000\n0.000000 0.000000 6.918943\nK Na\n6 2\ndirect\n0.171454 0.342908 0.250001 K\n0.171454 0.828547 0.250001 K\n0.657092 0.828547 0.250001 K\n0.342908 0.171453 0.750000 K\n0.828546 0.171453 0.750000 K\n0.828546 0.657092 0.750000 K\n0.666667 0.333333 0.250001 Na\n0.333333 0.666667 0.750000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 1.0510314142250896,
"density_atomic": 0.01804747205612169,
"volume": 443.2753781317759,
"volume_molar": 33.368334031897255,
"formula_full": "K6 Na2",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"formation_energy": 0.0015941147870879,
"spacegroup": 194
},
{
"id": "oqmd-299671",
"created_at": "2022-09-04T14:49:56.833287Z",
"updated_at": "2022-09-04T14:49:56.833309Z",
"structure_string": "K3 Ca1\n1.0\n-3.064852 3.064852 6.613459\n3.064852 -3.064852 6.613459\n3.064852 3.064852 -6.613459\nCa K\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"K"
],
"chemical_system": "Ca-K",
"density": 1.0516503567376392,
"density_atomic": 0.01609727336985438,
"volume": 248.4892880983722,
"volume_molar": 37.41093675701475,
"formula_full": "K3 Ca1",
"formula_reduced": "K3Ca",
"formula_anonymous": "AB3",
"formation_energy": 0.15320440375,
"spacegroup": 139
},
{
"id": "oqmd-1218985",
"created_at": "2022-09-04T15:39:09.060606Z",
"updated_at": "2022-09-04T15:39:09.060629Z",
"structure_string": "Cs1 Ca1\n1.0\n0.000000 5.149458 5.149458\n5.149458 0.000000 5.149458\n5.149458 5.149458 0.000000\nCa Cs\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cs\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Cs"
],
"chemical_system": "Ca-Cs",
"density": 1.051814370572152,
"density_atomic": 0.007323445249349029,
"volume": 273.09550790698916,
"volume_molar": 82.23097947697909,
"formula_full": "Cs1 Ca1",
"formula_reduced": "CsCa",
"formula_anonymous": "AB",
"formation_energy": 0.843325435,
"spacegroup": 216
},
{
"id": "oqmd-349165",
"created_at": "2022-09-04T14:51:11.981630Z",
"updated_at": "2022-09-04T14:51:11.981664Z",
"structure_string": "K3 Na1\n1.0\n6.049963 0.000000 0.000000\n0.000000 6.049963 0.000000\n0.000000 0.000000 6.049963\nK Na\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 1.051964669630679,
"density_atomic": 0.01806349717261739,
"volume": 221.4410621473473,
"volume_molar": 33.338731157380835,
"formula_full": "K3 Na1",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"formation_energy": 0.0056970635370881,
"spacegroup": 221
},
{
"id": "oqmd-348556",
"created_at": "2022-09-04T15:15:59.587866Z",
"updated_at": "2022-09-04T15:15:59.587893Z",
"structure_string": "Na3 Li1\n1.0\n4.928945 0.000000 0.000000\n0.000000 4.928945 0.000000\n0.000000 0.000000 4.928945\nLi Na\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.000000 Na\n0.499999 0.000000 0.499999 Na\n0.000000 0.499999 0.499999 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Na"
],
"chemical_system": "Li-Na",
"density": 1.0526595476309744,
"density_atomic": 0.03340396924087809,
"volume": 119.74624845196549,
"volume_molar": 18.028219091491703,
"formula_full": "Na3 Li1",
"formula_reduced": "Na3Li",
"formula_anonymous": "AB3",
"formation_energy": -0.0406754856387361,
"spacegroup": 221
},
{
"id": "oqmd-1236386",
"created_at": "2022-09-04T15:40:25.694536Z",
"updated_at": "2022-09-04T15:40:25.694566Z",
"structure_string": "Sc2 S4\n1.0\n3.932999 2.270718 6.422560\n-3.932999 2.270718 6.422560\n0.000000 -4.541436 6.422560\nS Sc\n4 2\ndirect\n0.375000 0.375000 0.375000 S\n0.875000 0.375000 0.375000 S\n0.375000 0.875000 0.375000 S\n0.375000 0.375000 0.875000 S\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"S",
"Sc"
],
"chemical_system": "S-Sc",
"density": 1.0526919474445917,
"density_atomic": 0.01743431109588368,
"volume": 344.14895816655627,
"volume_molar": 34.54189114143922,
"formula_full": "Sc2 S4",
"formula_reduced": "ScS2",
"formula_anonymous": "AB2",
"formation_energy": -1.04157168267557,
"spacegroup": 227
},
{
"id": "oqmd-1106359",
"created_at": "2022-09-04T15:35:27.828275Z",
"updated_at": "2022-09-04T15:35:27.828301Z",
"structure_string": "K1 Ca1\n1.0\n0.000000 3.967284 3.967284\n3.967284 0.000000 3.967284\n3.967284 3.967284 0.000000\nCa K\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"K"
],
"chemical_system": "Ca-K",
"density": 1.0527722583023762,
"density_atomic": 0.016014748680882887,
"volume": 124.8848820454759,
"volume_molar": 37.60371692369263,
"formula_full": "K1 Ca1",
"formula_reduced": "KCa",
"formula_anonymous": "AB",
"formation_energy": 0.4991785075,
"spacegroup": 225
},
{
"id": "oqmd-878902",
"created_at": "2022-09-04T15:32:47.980147Z",
"updated_at": "2022-09-04T15:32:47.980167Z",
"structure_string": "Ca1 Sc1 Mn1\n1.0\n0.000000 4.796646 4.796646\n4.796646 0.000000 4.796646\n4.796646 4.796646 0.000000\nCa Mn Sc\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sc"
],
"chemical_system": "Ca-Mn-Sc",
"density": 1.0530454897775428,
"density_atomic": 0.013591840046178007,
"volume": 220.7206669448404,
"volume_molar": 44.3070308327636,
"formula_full": "Ca1 Sc1 Mn1",
"formula_reduced": "CaScMn",
"formula_anonymous": "ABC",
"formation_energy": 2.18178805373563,
"spacegroup": 216
},
{
"id": "oqmd-1343957",
"created_at": "2022-09-04T15:45:58.189497Z",
"updated_at": "2022-09-04T15:45:58.189523Z",
"structure_string": "K4 O2\n1.0\n0.000000 10.050869 2.778593\n5.318450 0.000000 2.778593\n5.318450 10.050869 0.000000\nK O\n4 2\ndirect\n0.565512 0.340131 0.307105 K\n0.942895 0.462748 0.684488 K\n0.340131 0.565512 0.787252 K\n0.462748 0.942895 0.909869 K\n0.970753 0.970753 0.029247 O\n0.220753 0.220753 0.279247 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 1.0530959145874579,
"density_atomic": 0.020197965413451414,
"volume": 297.05962344128625,
"volume_molar": 29.815581107933696,
"formula_full": "K4 O2",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"formation_energy": -1.10841713195958,
"spacegroup": 43
},
{
"id": "oqmd-1450740",
"created_at": "2022-09-04T15:50:53.389609Z",
"updated_at": "2022-09-04T15:50:53.389641Z",
"structure_string": "Si1 H4\n1.0\n-2.330310 2.330310 2.330310\n2.330310 -2.330310 2.330310\n2.330310 2.330310 -2.330310\nH Si\n4 1\ndirect\n0.630436 0.000000 0.000000 H\n0.000000 0.630436 0.000000 H\n0.369565 0.369565 0.369565 H\n0.000000 0.000000 0.630436 H\n0.000000 0.000000 0.000000 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"H",
"Si"
],
"chemical_system": "H-Si",
"density": 1.053626043755919,
"density_atomic": 0.09877997603302383,
"volume": 50.61754619507516,
"volume_molar": 6.096519762250901,
"formula_full": "Si1 H4",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"formation_energy": 0.0412659512526595,
"spacegroup": 217
},
{
"id": "oqmd-1415800",
"created_at": "2022-09-04T15:47:39.095470Z",
"updated_at": "2022-09-04T15:47:39.095495Z",
"structure_string": "K2 Sc1\n1.0\n0.000000 4.595335 4.595335\n4.595335 0.000000 4.595335\n4.595335 4.595335 0.000000\nK Sc\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Sc"
],
"chemical_system": "K-Sc",
"density": 1.0536851167881953,
"density_atomic": 0.015457516836217843,
"volume": 194.0803320343685,
"volume_molar": 38.95930260861681,
"formula_full": "K2 Sc1",
"formula_reduced": "K2Sc",
"formula_anonymous": "AB2",
"formation_energy": 0.991939648333333,
"spacegroup": 225
},
{
"id": "oqmd-1236636",
"created_at": "2022-09-04T15:40:26.611342Z",
"updated_at": "2022-09-04T15:40:26.611368Z",
"structure_string": "Rb4 Tc2\n1.0\n5.310746 3.066161 8.672412\n-5.310746 3.066161 8.672412\n0.000000 -6.132322 8.672412\nRb Tc\n4 2\ndirect\n0.375000 0.375000 0.375000 Rb\n0.874998 0.375000 0.375000 Rb\n0.375000 0.874998 0.375000 Rb\n0.375000 0.375000 0.874998 Rb\n0.250000 0.250000 0.250000 Tc\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Tc"
],
"chemical_system": "Rb-Tc",
"density": 1.0541095555098736,
"density_atomic": 0.007081244865241221,
"volume": 847.3086461748292,
"volume_molar": 85.04353224049761,
"formula_full": "Rb4 Tc2",
"formula_reduced": "Rb2Tc",
"formula_anonymous": "AB2",
"formation_energy": 1.905927215,
"spacegroup": 227
}
]
}