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=12",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=10",
"results": [
{
"id": "oqmd-4765",
"created_at": "2022-09-04T14:49:23.941242Z",
"updated_at": "2022-09-04T14:49:23.941273Z",
"structure_string": "Hg3\n1.0\n0.000000 0.000000 3.587729\n-4.972201 0.000000 0.000000\n2.486100 -4.306084 0.000000\nHg\n3\ndirect\n0.499999 0.000000 0.000000 Hg\n0.499999 0.666679 0.333359 Hg\n0.000000 0.333314 0.666629 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 13.008548049397588,
"density_atomic": 0.039054443124666285,
"volume": 76.81584372932048,
"volume_molar": 15.41986078453771,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.078289338850574,
"spacegroup": 191
},
{
"id": "oqmd-14357",
"created_at": "2022-09-04T14:49:24.000710Z",
"updated_at": "2022-09-04T14:49:24.000737Z",
"structure_string": "Sr3\n1.0\n0.000000 0.000000 3.783321\n-7.010920 0.000000 0.000000\n3.505460 -6.071635 0.000000\nSr\n3\ndirect\n0.000000 0.333331 0.333330 Sr\n0.000000 0.000000 0.666671 Sr\n0.000000 0.666670 0.000000 Sr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.71031483782604,
"density_atomic": 0.018628050060426254,
"volume": 161.0474521095072,
"volume_molar": 32.32834752142704,
"formula_full": "Sr3",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"formation_energy": 0.22247543666667,
"spacegroup": 191
},
{
"id": "oqmd-30952",
"created_at": "2022-09-04T14:49:28.365838Z",
"updated_at": "2022-09-04T14:49:28.365872Z",
"structure_string": "Pa4\n1.0\n4.693879 0.000000 0.000000\n0.000000 4.693879 0.000000\n0.000000 0.000000 4.559912\nPa\n4\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.500000 0.498154 Pa\n0.500000 0.000000 0.501845 Pa\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pa"
],
"chemical_system": "Pa",
"density": 15.274544867607023,
"density_atomic": 0.03981436098559812,
"volume": 100.46626144387709,
"volume_molar": 15.125549201149717,
"formula_full": "Pa4",
"formula_reduced": "Pa",
"formula_anonymous": "A",
"formation_energy": 0.0023279150000004,
"spacegroup": 225
},
{
"id": "oqmd-20797",
"created_at": "2022-09-04T14:49:28.531879Z",
"updated_at": "2022-09-04T14:49:28.531911Z",
"structure_string": "Sc4\n1.0\n0.000000 0.000000 4.769758\n3.172831 -3.172831 2.384878\n3.172831 3.172831 -2.384878\nSc\n4\ndirect\n0.340644 0.500000 0.181288 Sc\n0.159356 0.181288 0.500000 Sc\n0.840644 0.818712 0.500000 Sc\n0.659356 0.500000 0.818712 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.109393455800611,
"density_atomic": 0.04165237505475398,
"volume": 96.03293917193953,
"volume_molar": 14.458096932248441,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"formation_energy": 0.3193235225,
"spacegroup": 140
},
{
"id": "oqmd-10215",
"created_at": "2022-09-04T15:06:20.510923Z",
"updated_at": "2022-09-04T15:06:20.510949Z",
"structure_string": "Si34\n1.0\n7.362583 -7.362583 0.000000\n-7.362583 0.000000 -7.362583\n7.362583 7.362583 0.000000\nSi\n34\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.500000 0.250000 Si\n0.370203 0.117205 0.252998 Si\n0.747001 0.117205 0.252998 Si\n0.135793 0.505996 0.252998 Si\n0.370203 0.505996 0.252998 Si\n0.135793 0.882795 0.252998 Si\n0.747001 0.882795 0.252998 Si\n0.110116 0.220232 0.330349 Si\n0.639883 0.279767 0.360116 Si\n0.080349 0.720232 0.360116 Si\n0.639883 0.720232 0.360116 Si\n0.002998 0.005997 0.385793 Si\n0.002998 0.382795 0.385793 Si\n0.379797 0.382795 0.385793 Si\n0.002998 0.005997 0.620203 Si\n0.002998 0.617205 0.620203 Si\n0.614206 0.617205 0.620203 Si\n0.747001 0.494003 0.629797 Si\n0.135793 0.882795 0.629797 Si\n0.747001 0.882795 0.629797 Si\n0.370203 0.117205 0.864206 Si\n0.747001 0.117205 0.864206 Si\n0.747001 0.494003 0.864206 Si\n0.110116 0.220232 0.889883 Si\n0.110116 0.779767 0.889883 Si\n0.669651 0.779767 0.889883 Si\n0.639883 0.279767 0.919651 Si\n0.002998 0.382795 0.997001 Si\n0.379797 0.382795 0.997001 Si\n0.002998 0.617205 0.997001 Si\n0.614206 0.617205 0.997001 Si\n0.379797 0.994003 0.997001 Si\n0.614206 0.994003 0.997001 Si\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.986504565973047,
"density_atomic": 0.042594969364286035,
"volume": 798.2163271258852,
"volume_molar": 14.138150232006724,
"formula_full": "Si34",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.33960579352941,
"spacegroup": 227
},
{
"id": "oqmd-520774",
"created_at": "2022-09-04T15:10:20.298611Z",
"updated_at": "2022-09-04T15:10:20.298633Z",
"structure_string": "B12\n1.0\n5.035711 0.000132 0.000092\n2.664158 4.273247 0.000092\n2.664158 1.478592 4.009290\nB\n12\ndirect\n0.010199 0.653992 0.010199 B\n0.653994 0.010197 0.010199 B\n0.221251 0.630500 0.221249 B\n0.630499 0.221251 0.221249 B\n0.989802 0.989802 0.346006 B\n0.778750 0.778749 0.369501 B\n0.221250 0.221250 0.630500 B\n0.010199 0.010198 0.653993 B\n0.778750 0.369500 0.778750 B\n0.369500 0.778749 0.778750 B\n0.346007 0.989802 0.989803 B\n0.989801 0.346007 0.989803 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.4970310312267596,
"density_atomic": 0.13909418515708197,
"volume": 86.27247779228261,
"volume_molar": 4.329541708159167,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 8.5923333330129e-05,
"spacegroup": 166
},
{
"id": "oqmd-1439991",
"created_at": "2022-09-04T15:50:31.586222Z",
"updated_at": "2022-09-04T15:50:31.586246Z",
"structure_string": "S1\n1.0\n2.573449 0.000000 0.000000\n0.000000 2.573449 0.000000\n0.000000 0.000000 2.573449\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.124162707018985,
"density_atomic": 0.05867502755438245,
"volume": 17.04302565641164,
"volume_molar": 10.263549947920229,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"formation_energy": 0.6045047225,
"spacegroup": 221
},
{
"id": "oqmd-1516307",
"created_at": "2022-09-04T15:54:14.200027Z",
"updated_at": "2022-09-04T15:54:14.200045Z",
"structure_string": "Ru30\n1.0\n9.314301 0.000000 0.000000\n0.000000 9.314301 0.000000\n0.000000 0.000000 4.854813\nRu\n30\ndirect\n0.000000 0.000000 0.000000 Ru\n0.735395 0.067022 0.000000 Ru\n0.454964 0.131259 0.000000 Ru\n0.932978 0.264605 0.000000 Ru\n0.403874 0.403874 0.000000 Ru\n0.131259 0.454964 0.000000 Ru\n0.868741 0.545036 0.000000 Ru\n0.596126 0.596126 0.000000 Ru\n0.067022 0.735395 0.000000 Ru\n0.545036 0.868741 0.000000 Ru\n0.264605 0.932978 0.000000 Ru\n0.681374 0.318626 0.249837 Ru\n0.318626 0.681374 0.249837 Ru\n0.181374 0.181374 0.250163 Ru\n0.818626 0.818626 0.250163 Ru\n0.631259 0.045036 0.500000 Ru\n0.903874 0.096126 0.500000 Ru\n0.432978 0.235395 0.500000 Ru\n0.954964 0.368741 0.500000 Ru\n0.235395 0.432978 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.764605 0.567022 0.500000 Ru\n0.045036 0.631259 0.500000 Ru\n0.567022 0.764605 0.500000 Ru\n0.096126 0.903874 0.500000 Ru\n0.368741 0.954964 0.500000 Ru\n0.181374 0.181374 0.749837 Ru\n0.818626 0.818626 0.749837 Ru\n0.681374 0.318626 0.750163 Ru\n0.318626 0.681374 0.750163 Ru\n",
"nsites": 30,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 11.954174050853515,
"density_atomic": 0.07122758368324664,
"volume": 421.18514273082474,
"volume_molar": 8.454787385152391,
"formula_full": "Ru30",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"formation_energy": 0.306858659666668,
"spacegroup": 136
},
{
"id": "oqmd-1472783",
"created_at": "2022-09-04T15:51:44.303039Z",
"updated_at": "2022-09-04T15:51:44.303067Z",
"structure_string": "Te6\n1.0\n4.247543 0.000000 0.000000\n2.123696 3.678611 0.000000\n0.474740 1.536206 19.253078\nTe\n6\ndirect\n0.173908 0.635368 0.074957 Te\n0.516435 0.929097 0.169836 Te\n0.858979 0.223086 0.264000 Te\n0.141021 0.776914 0.736000 Te\n0.483565 0.070903 0.830164 Te\n0.826092 0.364632 0.925043 Te\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 4.225997177303842,
"density_atomic": 0.019944788293010374,
"volume": 300.830468183144,
"volume_molar": 30.194057071593242,
"formula_full": "Te6",
"formula_reduced": "Te",
"formula_anonymous": "A",
"formation_energy": 0.0795699433333365,
"spacegroup": 2
},
{
"id": "oqmd-1472873",
"created_at": "2022-09-04T15:52:02.015590Z",
"updated_at": "2022-09-04T15:52:02.015616Z",
"structure_string": "Te8\n1.0\n3.722176 2.148999 5.457147\n-3.722176 2.148999 5.457147\n0.000000 -4.297999 5.457147\nTe\n8\ndirect\n0.000000 0.000000 0.000000 Te\n0.250000 0.482638 0.017362 Te\n0.482638 0.017362 0.250000 Te\n0.017362 0.250000 0.482639 Te\n0.500000 0.500000 0.500000 Te\n0.982638 0.750000 0.517362 Te\n0.517362 0.982638 0.750000 Te\n0.750000 0.517362 0.982639 Te\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.472017315918227,
"density_atomic": 0.03054498377044359,
"volume": 261.9087985157512,
"volume_molar": 19.71564563680416,
"formula_full": "Te8",
"formula_reduced": "Te",
"formula_anonymous": "A",
"formation_energy": 0.2085442691666696,
"spacegroup": 167
},
{
"id": "oqmd-1472731",
"created_at": "2022-09-04T15:52:14.995157Z",
"updated_at": "2022-09-04T15:52:14.995186Z",
"structure_string": "Te12\n1.0\n7.234878 0.000000 0.000000\n0.210579 8.473925 0.000000\n2.716914 4.148746 6.875409\nTe\n12\ndirect\n0.228785 0.624963 0.011540 Te\n0.229058 0.125305 0.011681 Te\n0.500266 0.000549 0.249891 Te\n0.499474 0.500385 0.250233 Te\n0.771102 0.373765 0.487849 Te\n0.771591 0.874100 0.488097 Te\n0.228409 0.125900 0.511903 Te\n0.228898 0.626235 0.512151 Te\n0.500526 0.499615 0.749767 Te\n0.499734 0.999451 0.750109 Te\n0.770942 0.874695 0.988319 Te\n0.771215 0.375037 0.988460 Te\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.032073873379888,
"density_atomic": 0.028468650433201875,
"volume": 421.5162930942757,
"volume_molar": 21.153587080392867,
"formula_full": "Te12",
"formula_reduced": "Te",
"formula_anonymous": "A",
"formation_energy": 0.07502449666667,
"spacegroup": 12
},
{
"id": "oqmd-604078",
"created_at": "2022-09-04T15:15:51.065743Z",
"updated_at": "2022-09-04T15:15:51.065769Z",
"structure_string": "Be2\n1.0\n2.268300 0.000000 0.000000\n-1.134150 1.964333 0.000000\n0.000000 0.000000 3.554150\nBe\n2\ndirect\n0.666688 0.333375 0.250001 Be\n0.333312 0.666623 0.749999 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8899820888677814,
"density_atomic": 0.12629281318302155,
"volume": 15.836213871502185,
"volume_molar": 4.768395451982536,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0001101400000003,
"spacegroup": 194
}
]
}