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=elements&page=84",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=82",
"results": [
{
"id": "oqmd-684885",
"created_at": "2022-09-04T15:39:31.947324Z",
"updated_at": "2022-09-04T15:39:31.947358Z",
"structure_string": "Hf1\n1.0\n1.764728 1.764728 1.764728\n1.764728 -1.764728 -1.764728\n-1.764728 1.764728 -1.764728\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.482476323105015,
"density_atomic": 0.04548903033176331,
"volume": 21.98332197250063,
"volume_molar": 13.238665929079964,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"formation_energy": 0.179715365,
"spacegroup": 229
},
{
"id": "oqmd-1214977",
"created_at": "2022-09-04T15:39:04.223504Z",
"updated_at": "2022-09-04T15:39:04.223530Z",
"structure_string": "Hg8\n1.0\n6.177369 0.000000 0.000000\n0.000000 6.177369 0.000000\n0.000000 0.000000 6.177369\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500001 0.250000 0.000000 Hg\n0.500001 0.750000 0.000000 Hg\n0.000000 0.500001 0.250000 Hg\n0.250000 0.000000 0.500001 Hg\n0.750000 0.000000 0.500001 Hg\n0.500001 0.500001 0.500001 Hg\n0.000000 0.500001 0.750000 Hg\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.304145265281912,
"density_atomic": 0.03393746147990455,
"volume": 235.7277077054527,
"volume_molar": 17.74481796042966,
"formula_full": "Hg8",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.008141814267241,
"spacegroup": 223
},
{
"id": "oqmd-676237",
"created_at": "2022-09-04T15:17:08.812172Z",
"updated_at": "2022-09-04T15:17:08.812208Z",
"structure_string": "Hg1\n1.0\n0.000000 -0.000000 -2.946784\n-2.046021 -2.046021 1.473392\n-2.046021 2.046021 -1.473392\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 13.50081241926543,
"density_atomic": 0.040532326033834894,
"volume": 24.67166575057244,
"volume_molar": 14.85762439336183,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.073740045517241,
"spacegroup": 139
},
{
"id": "oqmd-10256",
"created_at": "2022-09-04T14:49:19.707162Z",
"updated_at": "2022-09-04T14:49:19.707194Z",
"structure_string": "Hg3\n1.0\n4.972220 -0.000003 0.000000\n-2.486112 4.306066 0.000000\n0.000000 0.000000 3.587728\nHg\n3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666708 0.333379 0.500002 Hg\n0.333378 0.666706 0.500002 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 13.00856087553074,
"density_atomic": 0.039054481631460886,
"volume": 76.81576799071654,
"volume_molar": 15.419845580919912,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.078288362183908,
"spacegroup": 191
},
{
"id": "oqmd-1214888",
"created_at": "2022-09-04T15:39:04.865672Z",
"updated_at": "2022-09-04T15:39:04.865700Z",
"structure_string": "Hg20\n1.0\n8.360357 0.000000 0.000000\n0.000000 8.360357 0.000000\n0.000000 0.000000 8.360357\nHg\n20\ndirect\n0.875000 0.704648 0.045352 Hg\n0.061385 0.061385 0.061385 Hg\n0.204649 0.454649 0.124999 Hg\n0.811385 0.311385 0.188615 Hg\n0.454649 0.124999 0.204649 Hg\n0.545351 0.625001 0.295351 Hg\n0.188615 0.811385 0.311385 Hg\n0.795351 0.954649 0.375000 Hg\n0.938615 0.561385 0.438614 Hg\n0.124999 0.204649 0.454649 Hg\n0.625001 0.295351 0.545351 Hg\n0.438614 0.938615 0.561385 Hg\n0.295351 0.545351 0.625001 Hg\n0.688614 0.688614 0.688614 Hg\n0.045352 0.875000 0.704648 Hg\n0.954649 0.375000 0.795351 Hg\n0.311385 0.188615 0.811385 Hg\n0.704648 0.045352 0.875000 Hg\n0.561385 0.438614 0.938615 Hg\n0.375000 0.795351 0.954649 Hg\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.400237600769875,
"density_atomic": 0.03422595122040289,
"volume": 584.3519109580666,
"volume_molar": 17.595247305822316,
"formula_full": "Hg20",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.000151418517241,
"spacegroup": 213
},
{
"id": "oqmd-684894",
"created_at": "2022-09-04T15:39:30.949544Z",
"updated_at": "2022-09-04T15:39:30.949566Z",
"structure_string": "Hg1\n1.0\n1.770769 -1.022355 -2.297374\n0.000000 2.044708 -2.297374\n1.770769 1.022355 2.297374\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 13.347873164622635,
"density_atomic": 0.040073169685309704,
"volume": 24.95435244710844,
"volume_molar": 15.02786230111375,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.051543845517241,
"spacegroup": 166
},
{
"id": "oqmd-1214532",
"created_at": "2022-09-04T15:39:02.447772Z",
"updated_at": "2022-09-04T15:39:02.447793Z",
"structure_string": "Hg1\n1.0\n0.000000 2.405230 -2.405230\n2.405230 0.000000 2.405230\n0.000000 -2.405230 -2.405230\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.969018656228206,
"density_atomic": 0.03593355358282133,
"volume": 27.82914296787133,
"volume_molar": 16.75910161826853,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.020954955517241,
"spacegroup": 225
},
{
"id": "oqmd-1214710",
"created_at": "2022-09-04T15:39:04.352914Z",
"updated_at": "2022-09-04T15:39:04.352943Z",
"structure_string": "Hg4\n1.0\n-2.613344 -4.527510 0.000000\n-2.613344 4.527510 0.000000\n0.000000 0.000000 -5.349147\nHg\n4\ndirect\n0.155358 0.844640 0.084221 Hg\n0.655358 0.344640 0.415778 Hg\n0.344640 0.655358 0.584220 Hg\n0.844640 0.155358 0.915780 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.525623705100232,
"density_atomic": 0.0316001732692614,
"volume": 126.58158440830262,
"volume_molar": 19.057302973265493,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.043852793017241,
"spacegroup": 64
},
{
"id": "oqmd-1215512",
"created_at": "2022-09-04T15:39:04.742645Z",
"updated_at": "2022-09-04T15:39:04.742665Z",
"structure_string": "Hg2\n1.0\n0.000000 3.318062 -3.318062\n3.318062 0.000000 3.318062\n0.000000 -3.318062 -3.318062\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.500000 0.749999 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.118111221732326,
"density_atomic": 0.027374519797389477,
"volume": 73.06064233465482,
"volume_molar": 21.999073607765315,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.154518060517241,
"spacegroup": 227
},
{
"id": "oqmd-1215601",
"created_at": "2022-09-04T15:39:05.017288Z",
"updated_at": "2022-09-04T15:39:05.017315Z",
"structure_string": "Hg2\n1.0\n0.000000 0.000000 -3.161660\n2.952924 2.952924 1.580830\n2.952924 -2.952924 -1.580830\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250002 0.499999 0.499999 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 12.081995563258522,
"density_atomic": 0.036272734417858526,
"volume": 55.13783375028157,
"volume_molar": 16.602389802283717,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.016593585517241,
"spacegroup": 141
},
{
"id": "oqmd-1215423",
"created_at": "2022-09-04T15:39:05.100620Z",
"updated_at": "2022-09-04T15:39:05.100656Z",
"structure_string": "Hg4\n1.0\n3.496656 0.000000 0.000000\n-1.748328 3.028193 0.000000\n0.000000 0.000000 11.073987\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333332 0.666665 0.250000 Hg\n0.000000 0.000000 0.500001 Hg\n0.666668 0.333334 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.362604698479814,
"density_atomic": 0.03411296919992511,
"volume": 117.2574564400211,
"volume_molar": 17.653522696034386,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.001298653017241,
"spacegroup": 194
},
{
"id": "oqmd-1216046",
"created_at": "2022-09-04T15:39:08.805616Z",
"updated_at": "2022-09-04T15:39:08.805641Z",
"structure_string": "Hg3\n1.0\n1.742870 -3.018739 0.000000\n1.742870 3.018739 -0.000000\n-0.000000 -2.012492 8.344899\nHg\n3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.222070 0.777930 0.333794 Hg\n0.777932 0.222068 0.666206 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.37988806236362,
"density_atomic": 0.03416485755435482,
"volume": 87.80952753065424,
"volume_molar": 17.626711161956504,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"formation_energy": 0.000882042183908,
"spacegroup": 166
}
]
}