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=-chemical_system&page=10",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=8",
"results": [
{
"id": "oqmd-758443",
"created_at": "2022-09-04T15:22:03.340551Z",
"updated_at": "2022-09-04T15:22:03.340575Z",
"structure_string": "Zr6 Zn2\n1.0\n5.434412 0.000000 0.000000\n0.000000 6.038838 0.000000\n0.000000 0.000000 5.091551\nZn Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333418 0.500000 0.500001 Zn\n0.508208 0.251252 0.000000 Zr\n0.022413 0.500000 0.000000 Zr\n0.508208 0.748747 0.000000 Zr\n0.310920 0.000000 0.500001 Zr\n0.825123 0.248747 0.500001 Zr\n0.825123 0.751254 0.500001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.739481885391057,
"density_atomic": 0.047877773838487944,
"volume": 167.0921464934313,
"volume_molar": 12.578155325924797,
"formula_full": "Zr6 Zn2",
"formula_reduced": "Zr3Zn",
"formula_anonymous": "AB3",
"formation_energy": -0.0898181737500003,
"spacegroup": 59
},
{
"id": "oqmd-760799",
"created_at": "2022-09-04T15:22:07.833907Z",
"updated_at": "2022-09-04T15:22:07.833928Z",
"structure_string": "Zr2 Zn6\n1.0\n5.070450 -2.927995 0.000000\n0.000035 5.856050 0.000000\n0.000000 0.000000 4.378346\nZn Zr\n6 2\ndirect\n0.508617 0.017346 0.000000 Zn\n0.508677 0.491270 0.000000 Zn\n0.982629 0.491337 0.000000 Zn\n0.350723 0.175327 0.499999 Zn\n0.824643 0.175371 0.499999 Zn\n0.824684 0.649281 0.499999 Zn\n0.000000 0.000000 0.000000 Zr\n0.333394 0.666758 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.343110416234139,
"density_atomic": 0.061535697643168526,
"volume": 130.00583899105484,
"volume_molar": 9.78641827532536,
"formula_full": "Zr2 Zn6",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.28195611875,
"spacegroup": 194
},
{
"id": "oqmd-1231286",
"created_at": "2022-09-04T15:39:29.193701Z",
"updated_at": "2022-09-04T15:39:29.193722Z",
"structure_string": "Zr1 Zn1\n1.0\n2.984080 0.000000 0.000000\n-1.492040 2.584246 0.000000\n0.000000 0.000000 4.978719\nZn Zr\n1 1\ndirect\n0.666668 0.333335 0.750000 Zn\n0.333333 0.666667 0.250000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.774393717712869,
"density_atomic": 0.05209164422034302,
"volume": 38.39387352682088,
"volume_molar": 11.560665535007649,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0309733099999994,
"spacegroup": 187
},
{
"id": "oqmd-31125",
"created_at": "2022-09-04T14:49:21.263861Z",
"updated_at": "2022-09-04T14:49:21.263889Z",
"structure_string": "Zr2 Zn1\n1.0\n0.000000 3.298803 0.000000\n3.298803 0.000000 0.000000\n-1.649401 -1.649401 -5.642752\nZn Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.656481 0.656481 0.312963 Zr\n0.343518 0.343518 0.687037 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.702650297427014,
"density_atomic": 0.04885595755227051,
"volume": 61.404998495635446,
"volume_molar": 12.326318143610163,
"formula_full": "Zr2 Zn1",
"formula_reduced": "Zr2Zn",
"formula_anonymous": "AB2",
"formation_energy": -0.17365665,
"spacegroup": 139
},
{
"id": "oqmd-348763",
"created_at": "2022-09-04T15:16:03.564673Z",
"updated_at": "2022-09-04T15:16:03.564699Z",
"structure_string": "Zr1 Zn3\n1.0\n4.063010 0.000000 0.000000\n0.000000 4.063010 0.000000\n0.000000 0.000000 4.063010\nZn Zr\n3 1\ndirect\n0.500001 0.500001 0.000000 Zn\n0.500001 0.000000 0.500001 Zn\n0.000000 0.500001 0.500001 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.1165457824003315,
"density_atomic": 0.059637072671738185,
"volume": 67.07237328728891,
"volume_molar": 10.097981826082943,
"formula_full": "Zr1 Zn3",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.26186932,
"spacegroup": 221
},
{
"id": "oqmd-758431",
"created_at": "2022-09-04T15:22:04.176225Z",
"updated_at": "2022-09-04T15:22:04.176249Z",
"structure_string": "Zr6 Zn2\n1.0\n5.346319 -3.085007 0.000000\n-0.000217 6.169638 0.000000\n0.000000 0.000000 5.053662\nZn Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333376 0.666658 0.500000 Zn\n0.495309 0.504649 0.000000 Zr\n0.009356 0.504670 0.000000 Zr\n0.495319 0.990679 0.000000 Zr\n0.323987 0.161976 0.500000 Zr\n0.838043 0.162006 0.500000 Zr\n0.838017 0.676004 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.755704106649347,
"density_atomic": 0.047993017688648866,
"volume": 166.6909143304846,
"volume_molar": 12.547951868890992,
"formula_full": "Zr6 Zn2",
"formula_reduced": "Zr3Zn",
"formula_anonymous": "AB3",
"formation_energy": -0.0970019662499997,
"spacegroup": 194
},
{
"id": "oqmd-301273",
"created_at": "2022-09-04T14:50:07.710592Z",
"updated_at": "2022-09-04T14:50:07.710608Z",
"structure_string": "Zr1 Zn3\n1.0\n-2.035695 2.035695 3.913455\n2.035695 -2.035695 3.913455\n2.035695 2.035695 -3.913455\nZn Zr\n3 1\ndirect\n0.500001 0.500001 0.000000 Zn\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.358125074523775,
"density_atomic": 0.061661521363683996,
"volume": 64.8702774686294,
"volume_molar": 9.766448551408569,
"formula_full": "Zr1 Zn3",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.089182815,
"spacegroup": 139
},
{
"id": "oqmd-1277949",
"created_at": "2022-09-04T15:42:09.225006Z",
"updated_at": "2022-09-04T15:42:09.225028Z",
"structure_string": "Zr2 Zn26\n1.0\n0.000000 5.791153 5.791153\n5.791153 0.000000 5.791153\n5.791153 5.791153 0.000000\nZn Zr\n26 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.701240 0.298760 0.058546 Zn\n0.298760 0.941454 0.058546 Zn\n0.941454 0.701240 0.058546 Zn\n0.798760 0.441454 0.201240 Zn\n0.441454 0.558546 0.201240 Zn\n0.558546 0.798760 0.201240 Zn\n0.941454 0.058546 0.298760 Zn\n0.058546 0.701240 0.298760 Zn\n0.701240 0.941454 0.298760 Zn\n0.558546 0.201240 0.441454 Zn\n0.798760 0.558546 0.441454 Zn\n0.201240 0.798760 0.441454 Zn\n0.500000 0.500000 0.500000 Zn\n0.798760 0.201240 0.558546 Zn\n0.201240 0.441454 0.558546 Zn\n0.441454 0.798760 0.558546 Zn\n0.298760 0.058546 0.701240 Zn\n0.941454 0.298760 0.701240 Zn\n0.058546 0.941454 0.701240 Zn\n0.441454 0.201240 0.798760 Zn\n0.558546 0.441454 0.798760 Zn\n0.201240 0.558546 0.798760 Zn\n0.701240 0.058546 0.941454 Zn\n0.058546 0.298760 0.941454 Zn\n0.298760 0.701240 0.941454 Zn\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 8.049950631199147,
"density_atomic": 0.07208301089430949,
"volume": 388.44104391053435,
"volume_molar": 8.354452297823496,
"formula_full": "Zr2 Zn26",
"formula_reduced": "ZrZn13",
"formula_anonymous": "AB13",
"formation_energy": -0.0022047132142858,
"spacegroup": 226
},
{
"id": "oqmd-337878",
"created_at": "2022-09-04T15:04:24.860104Z",
"updated_at": "2022-09-04T15:04:24.860134Z",
"structure_string": "Zr1 Zn1\n1.0\n2.182240 2.182240 0.000000\n0.000000 4.364479 0.000000\n0.000000 0.000000 3.884727\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.499999 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.029702392378848,
"density_atomic": 0.054054838153446395,
"volume": 36.99946329175135,
"volume_molar": 11.140798799368978,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.258963595,
"spacegroup": 123
},
{
"id": "oqmd-758422",
"created_at": "2022-09-04T15:22:28.019760Z",
"updated_at": "2022-09-04T15:22:28.019785Z",
"structure_string": "Zr5 Zn5\n1.0\n2.592292 4.495033 0.000000\n-5.274315 6.045265 0.000000\n0.000000 0.000000 4.834169\nZn Zr\n5 5\ndirect\n0.411328 0.207805 0.000000 Zn\n0.819275 0.392320 0.000000 Zn\n0.621765 0.800022 0.000000 Zn\n0.049839 0.208034 0.499999 Zn\n0.458250 0.391895 0.499999 Zn\n0.029584 0.006727 0.000000 Zr\n0.236403 0.593454 0.000000 Zr\n0.626760 0.005696 0.499999 Zr\n0.832836 0.594036 0.499999 Zr\n0.247136 0.800012 0.499999 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.831442444899155,
"density_atomic": 0.05253031993416245,
"volume": 190.366249673203,
"volume_molar": 11.464123514853327,
"formula_full": "Zr5 Zn5",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.050520495,
"spacegroup": 38
},
{
"id": "oqmd-18187",
"created_at": "2022-09-04T14:49:21.020670Z",
"updated_at": "2022-09-04T14:49:21.020698Z",
"structure_string": "Zr1 Zn1\n1.0\n2.737934 -2.737914 0.000000\n-2.737934 0.000000 -2.737914\n2.737934 2.737914 0.000000\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.000000 0.500001 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.336359187013632,
"density_atomic": 0.048723381335097966,
"volume": 41.04805424411907,
"volume_molar": 12.359858029110024,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": 0.149029465000001,
"spacegroup": 225
},
{
"id": "oqmd-760794",
"created_at": "2022-09-04T15:22:07.551285Z",
"updated_at": "2022-09-04T15:22:07.551317Z",
"structure_string": "Zr4 Zn4\n1.0\n10.344274 0.000000 0.000000\n0.000000 3.109851 0.000000\n0.000000 0.000000 4.721619\nZn Zr\n4 4\ndirect\n0.981688 0.000000 0.000000 Zn\n0.770410 0.500001 0.000000 Zn\n0.146104 0.000000 0.500000 Zn\n0.935101 0.500001 0.500000 Zn\n0.510504 0.000000 0.000000 Zr\n0.217406 0.500001 0.000000 Zr\n0.699343 0.000000 0.500000 Zr\n0.406141 0.500001 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.849546493647989,
"density_atomic": 0.05266953086663396,
"volume": 151.89047383499638,
"volume_molar": 11.433822669218067,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0741171987499998,
"spacegroup": 59
}
]
}