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=12",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=10",
"results": [
{
"id": "oqmd-758437",
"created_at": "2022-09-04T15:22:48.239043Z",
"updated_at": "2022-09-04T15:22:48.239066Z",
"structure_string": "Zr16 Zn8\n1.0\n4.864958 12.110623 0.000000\n-5.689150 6.407477 0.000000\n0.000000 0.000000 4.932030\nZn Zr\n8 16\ndirect\n0.767744 0.232460 0.000000 Zn\n0.349882 0.350787 0.000000 Zn\n0.850291 0.811081 0.000000 Zn\n0.996737 0.995815 0.000000 Zn\n0.844621 0.010242 0.499999 Zn\n0.426618 0.128842 0.499999 Zn\n0.197741 0.365219 0.499999 Zn\n0.344129 0.549916 0.499999 Zn\n0.603585 0.098392 0.000000 Zr\n0.172890 0.197714 0.000000 Zr\n0.919601 0.401493 0.000000 Zr\n0.522553 0.489811 0.000000 Zr\n0.101168 0.590536 0.000000 Zr\n0.679507 0.673714 0.000000 Zr\n0.243681 0.785563 0.000000 Zr\n0.430578 0.933692 0.000000 Zr\n0.021580 0.163387 0.499999 Zr\n0.590862 0.262690 0.499999 Zr\n0.763862 0.427413 0.499999 Zr\n0.950783 0.575578 0.499999 Zr\n0.514879 0.687392 0.499999 Zr\n0.093336 0.770561 0.499999 Zr\n0.671862 0.871282 0.499999 Zr\n0.274827 0.959592 0.499999 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.671219145454578,
"density_atomic": 0.048626854293344145,
"volume": 493.5544432962637,
"volume_molar": 12.384393042723076,
"formula_full": "Zr16 Zn8",
"formula_reduced": "Zr2Zn",
"formula_anonymous": "AB2",
"formation_energy": 0.0194634145833336,
"spacegroup": 11
},
{
"id": "oqmd-758426",
"created_at": "2022-09-04T15:22:05.558761Z",
"updated_at": "2022-09-04T15:22:05.558789Z",
"structure_string": "Zr4 Zn4\n1.0\n10.339973 0.000000 0.000000\n0.000000 3.109833 0.000000\n0.000000 0.000000 4.720537\nZn Zr\n4 4\ndirect\n0.481785 0.000000 0.000000 Zn\n0.270467 0.500001 0.000000 Zn\n0.646058 0.000000 0.499998 Zn\n0.434994 0.500001 0.499998 Zn\n0.010551 0.000000 0.000000 Zr\n0.717508 0.500001 0.000000 Zr\n0.199230 0.000000 0.499998 Zr\n0.906103 0.500001 0.499998 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.85400593824251,
"density_atomic": 0.05270382172880082,
"volume": 151.79164883271218,
"volume_molar": 11.42638344328853,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0740027949999993,
"spacegroup": 59
},
{
"id": "oqmd-758425",
"created_at": "2022-09-04T15:22:06.419236Z",
"updated_at": "2022-09-04T15:22:06.419257Z",
"structure_string": "Zr4 Zn4\n1.0\n5.839709 0.000000 0.000000\n0.000000 5.707589 0.000000\n0.000000 0.000000 4.499529\nZn Zr\n4 4\ndirect\n0.989916 0.503665 0.000000 Zn\n0.489917 0.746334 0.000000 Zn\n0.343414 0.003665 0.499999 Zn\n0.843415 0.246335 0.499999 Zn\n0.059979 0.005808 0.000000 Zr\n0.559980 0.244192 0.000000 Zr\n0.273353 0.505807 0.499999 Zr\n0.773354 0.744192 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.93715504597102,
"density_atomic": 0.05334319610199488,
"volume": 149.9722660918854,
"volume_molar": 11.289426206268862,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.23158543,
"spacegroup": 62
},
{
"id": "oqmd-1236199",
"created_at": "2022-09-04T15:39:31.386251Z",
"updated_at": "2022-09-04T15:39:31.386268Z",
"structure_string": "Zr2 Zn2\n1.0\n4.783673 0.000000 0.000000\n0.000000 3.232338 0.000000\n0.000000 0.000000 4.749447\nZn Zr\n2 2\ndirect\n0.431202 0.500003 0.000000 Zn\n0.902133 0.500003 0.499999 Zn\n0.925887 0.000000 0.000000 Zr\n0.407446 0.000000 0.499999 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.083388482022172,
"density_atomic": 0.0544676568938112,
"volume": 73.43807734924785,
"volume_molar": 11.056360973523454,
"formula_full": "Zr2 Zn2",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.275056922499999,
"spacegroup": 51
},
{
"id": "oqmd-758419",
"created_at": "2022-09-04T15:22:31.618465Z",
"updated_at": "2022-09-04T15:22:31.618491Z",
"structure_string": "Zr5 Zn5\n1.0\n2.306437 3.994582 0.000000\n-6.599128 6.473055 0.000000\n0.000000 0.000000 4.548246\nZn Zr\n5 5\ndirect\n0.862839 0.421717 0.000000 Zn\n0.276598 0.600106 0.000000 Zn\n0.684474 0.778228 0.000000 Zn\n0.381697 0.422057 0.499999 Zn\n0.203711 0.777925 0.499999 Zn\n0.466886 0.224685 0.000000 Zr\n0.091556 0.975291 0.000000 Zr\n0.978239 0.214917 0.499999 Zr\n0.794025 0.599999 0.499999 Zr\n0.593158 0.985076 0.499999 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.924824799202353,
"density_atomic": 0.053248382771889355,
"volume": 187.79913077997094,
"volume_molar": 11.309528001626335,
"formula_full": "Zr5 Zn5",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.176896746,
"spacegroup": 38
},
{
"id": "oqmd-760795",
"created_at": "2022-09-04T15:22:45.945300Z",
"updated_at": "2022-09-04T15:22:45.945325Z",
"structure_string": "Zr6 Zn8\n1.0\n5.345254 6.172531 0.000000\n-2.672578 7.715619 0.000000\n0.000000 0.000000 4.450881\nZn Zr\n8 6\ndirect\n0.980366 0.015455 0.000000 Zn\n0.586962 0.147012 0.000000 Zn\n0.718418 0.408897 0.000000 Zn\n0.428548 0.857195 0.000000 Zn\n0.936845 0.233914 0.500000 Zn\n0.543480 0.365452 0.500000 Zn\n0.095237 0.523793 0.500000 Zn\n0.805374 0.972031 0.500000 Zn\n0.110256 0.292970 0.000000 Zr\n0.310998 0.538799 0.000000 Zr\n0.864403 0.739580 0.000000 Zr\n0.413521 0.087988 0.500000 Zr\n0.659359 0.641356 0.500000 Zr\n0.212801 0.842125 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.917851617148513,
"density_atomic": 0.05447740991496711,
"volume": 256.9872543840166,
"volume_molar": 11.054381567331962,
"formula_full": "Zr6 Zn8",
"formula_reduced": "Zr3Zn4",
"formula_anonymous": "A3B4",
"formation_energy": -0.17756015,
"spacegroup": 176
},
{
"id": "oqmd-1591931",
"created_at": "2022-09-04T15:57:38.850291Z",
"updated_at": "2022-09-04T15:57:38.850317Z",
"structure_string": "Zr4 Zn2\n1.0\n0.000000 4.012508 4.012508\n4.012508 0.000000 4.012508\n4.012508 4.012508 0.000000\nZn Zr\n2 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zn\n0.125000 0.125000 0.125000 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.625000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.370925878428496,
"density_atomic": 0.04643800145811705,
"volume": 129.20452671529085,
"volume_molar": 12.968130778477699,
"formula_full": "Zr4 Zn2",
"formula_reduced": "Zr2Zn",
"formula_anonymous": "AB2",
"formation_energy": 0.3884666383333328,
"spacegroup": 227
},
{
"id": "oqmd-760797",
"created_at": "2022-09-04T15:24:51.738873Z",
"updated_at": "2022-09-04T15:24:51.738898Z",
"structure_string": "Zr4 Zn8\n1.0\n14.309457 0.000000 0.000000\n0.000000 3.121339 0.000000\n0.000000 0.000000 4.627179\nZn Zr\n8 4\ndirect\n0.333667 0.000000 0.000000 Zn\n0.982636 0.000000 0.000000 Zn\n0.482638 0.499997 0.000000 Zn\n0.833670 0.499997 0.000000 Zn\n0.110769 0.000000 0.500000 Zn\n0.461802 0.000000 0.500000 Zn\n0.610774 0.499997 0.500000 Zn\n0.961804 0.499997 0.500000 Zn\n0.652209 0.000000 0.000000 Zr\n0.152209 0.499997 0.000000 Zr\n0.792231 0.000000 0.500000 Zr\n0.292231 0.499997 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.136147635727402,
"density_atomic": 0.05806318475064558,
"volume": 206.67140549617505,
"volume_molar": 10.371702458041696,
"formula_full": "Zr4 Zn8",
"formula_reduced": "ZrZn2",
"formula_anonymous": "AB2",
"formation_energy": -0.130172295833333,
"spacegroup": 63
},
{
"id": "oqmd-760790",
"created_at": "2022-09-04T15:22:39.448866Z",
"updated_at": "2022-09-04T15:22:39.448885Z",
"structure_string": "Zr5 Zn5\n1.0\n2.294530 3.973770 0.000000\n-6.639614 6.482152 0.000000\n0.000000 0.000000 4.537089\nZn Zr\n5 5\ndirect\n0.266815 0.621986 0.000000 Zn\n0.088756 0.978003 0.000000 Zn\n0.778171 0.621799 0.499999 Zn\n0.190278 0.800257 0.499999 Zn\n0.599960 0.978184 0.499999 Zn\n0.487893 0.184858 0.000000 Zr\n0.872814 0.415099 0.000000 Zr\n0.678976 0.799956 0.000000 Zr\n0.997228 0.174933 0.499999 Zr\n0.372287 0.424923 0.499999 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.947348680422105,
"density_atomic": 0.05342157996943232,
"volume": 187.19027040611624,
"volume_molar": 11.272861572880945,
"formula_full": "Zr5 Zn5",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.178536177,
"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-327420",
"created_at": "2022-09-04T15:04:02.383068Z",
"updated_at": "2022-09-04T15:04:02.383103Z",
"structure_string": "Zr1 Zn1\n1.0\n1.556824 0.898832 4.694342\n-1.556824 0.898832 4.694342\n0.000000 -1.797665 4.694342\nZn Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.599152764517418,
"density_atomic": 0.05074413036639874,
"volume": 39.41342546534881,
"volume_molar": 11.86765979930495,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0267997399999995,
"spacegroup": 166
},
{
"id": "oqmd-760796",
"created_at": "2022-09-04T15:21:56.815626Z",
"updated_at": "2022-09-04T15:21:56.815652Z",
"structure_string": "Zr1 Zn5\n1.0\n2.564184 4.441340 0.000000\n-2.564184 4.441340 0.000000\n0.000000 0.000000 4.113779\nZn Zr\n5 1\ndirect\n0.333332 0.333336 0.000000 Zn\n0.666664 0.666668 0.000000 Zn\n0.548559 0.000000 0.499998 Zn\n0.000000 0.451442 0.499998 Zn\n0.451447 0.548550 0.499998 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.4126008629335685,
"density_atomic": 0.06403495235321281,
"volume": 93.69882821032446,
"volume_molar": 9.40445887549388,
"formula_full": "Zr1 Zn5",
"formula_reduced": "ZrZn5",
"formula_anonymous": "AB5",
"formation_energy": -0.126322915,
"spacegroup": 189
}
]
}