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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4537",
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{
"id": "jvasp-39555",
"created_at": "2022-09-04T14:37:51.182899Z",
"updated_at": "2022-09-04T14:37:51.182920Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.136321 2.136321 5.402962\n2.136321 -2.136321 5.402962\n2.136321 2.136321 -5.402962\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 Hg\n0.250001 0.750000 0.500000 Hg\n0.499999 0.499999 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-78986",
"created_at": "2022-09-04T14:37:11.917010Z",
"updated_at": "2022-09-04T14:37:11.917029Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.679783 3.679783\n3.679783 0.000000 3.679783\n3.679783 3.679783 0.000000\nZn Hg\n1 3\ndirect\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n0.250000 0.250000 0.250000 Hg\n",
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{
"id": "jvasp-110951",
"created_at": "2022-09-04T14:38:37.386130Z",
"updated_at": "2022-09-04T14:38:37.386148Z",
"structure_string": "Zn1 Hg1 S2\n1.0\n3.863093 0.012124 5.919894\n1.769721 3.433908 5.919894\n0.019817 0.012124 7.068822\nZn Hg S\n1 1 2\ndirect\n0.499220 0.499219 0.499220 Zn\n0.003835 0.003835 0.003835 Hg\n0.131229 0.131229 0.131229 S\n0.615716 0.615715 0.615715 S\n",
"nsites": 4,
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"elements": [
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"Hg",
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],
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"density": 5.89022183645256,
"density_atomic": 0.04297925358753855,
"volume": 93.06815884675494,
"volume_molar": 14.011738821229939,
"formula_full": "Zn1 Hg1 S2",
"formula_reduced": "ZnHgS2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-110952",
"created_at": "2022-09-04T14:38:37.111898Z",
"updated_at": "2022-09-04T14:38:37.111917Z",
"structure_string": "Zn1 Hg1 Se2\n1.0\n4.059582 0.012701 6.175220\n1.857455 3.609740 6.175220\n0.020746 0.012701 7.390069\nZn Hg Se\n1 1 2\ndirect\n0.498937 0.498935 0.498935 Zn\n0.003196 0.003196 0.003196 Hg\n0.130996 0.130996 0.130996 Se\n0.616873 0.616872 0.616871 Se\n",
"nsites": 4,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Hg-Se-Zn",
"density": 6.549049067888447,
"density_atomic": 0.03721399167727835,
"volume": 107.48645387703114,
"volume_molar": 16.182463876018232,
"formula_full": "Zn1 Hg1 Se2",
"formula_reduced": "ZnHgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-99576",
"created_at": "2022-09-04T14:36:22.677873Z",
"updated_at": "2022-09-04T14:36:22.677890Z",
"structure_string": "Zn1 Hg1 Te2\n1.0\n4.334838 0.009407 6.545737\n1.977903 3.857306 6.545737\n0.015357 0.009407 7.850941\nZn Hg Te\n1 1 2\ndirect\n0.498969 0.498970 0.498969 Zn\n0.002154 0.002154 0.002154 Hg\n0.129917 0.129918 0.129917 Te\n0.618960 0.618962 0.618960 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Hg",
"Te"
],
"chemical_system": "Hg-Te-Zn",
"density": 6.627089897326187,
"density_atomic": 0.03062881410337628,
"volume": 130.59598019366578,
"volume_molar": 19.661684385410684,
"formula_full": "Zn1 Hg1 Te2",
"formula_reduced": "ZnHgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0056075,
"spacegroup": 160
},
{
"id": "jvasp-106686",
"created_at": "2022-09-04T14:36:53.746456Z",
"updated_at": "2022-09-04T14:36:53.746486Z",
"structure_string": "Zn1 Hg1 Te2\n1.0\n4.508162 -0.000000 0.000000\n0.000000 4.508162 0.000000\n-0.000000 0.000000 6.449474\nZn Hg Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.272200 Te\n0.500000 0.000000 0.727799 Te\n",
"nsites": 4,
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"elements": [
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"Hg",
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],
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"density": 6.602818311509002,
"density_atomic": 0.030516636676857792,
"volume": 131.0760436137246,
"volume_molar": 19.73395962264372,
"formula_full": "Zn1 Hg1 Te2",
"formula_reduced": "ZnHgTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 115
},
{
"id": "jvasp-52906",
"created_at": "2022-09-04T14:36:54.896452Z",
"updated_at": "2022-09-04T14:36:54.896476Z",
"structure_string": "Zn4 H8 O8\n1.0\n4.897610 0.000000 0.000000\n0.000000 5.243935 0.000000\n0.000000 0.000000 8.165770\nZn H O\n4 8 8\ndirect\n0.936268 0.152507 0.873135 Zn\n0.563732 0.847493 0.373135 Zn\n0.436268 0.347493 0.126865 Zn\n0.063732 0.652508 0.626865 Zn\n0.195114 0.929796 0.111476 H\n0.304886 0.070205 0.611476 H\n0.804886 0.429796 0.388524 H\n0.695114 0.570205 0.888524 H\n0.134458 0.639382 0.286031 H\n0.865542 0.139381 0.213969 H\n0.634458 0.860620 0.713969 H\n0.365542 0.360619 0.786031 H\n0.305829 0.668772 0.220594 O\n0.867541 0.606293 0.417262 O\n0.632459 0.393708 0.917262 O\n0.367541 0.893709 0.582738 O\n0.132459 0.106292 0.082738 O\n0.805829 0.831229 0.779406 O\n0.694171 0.168772 0.279406 O\n0.194171 0.331228 0.720594 O\n",
"nsites": 20,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.1489102345301285,
"density_atomic": 0.09536551392735773,
"volume": 209.71941718087416,
"volume_molar": 6.314799251841933,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 19
},
{
"id": "jvasp-29800",
"created_at": "2022-09-04T14:37:28.048291Z",
"updated_at": "2022-09-04T14:37:28.048320Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.224840 -0.000621 -0.001232\n-1.612957 2.793724 0.000000\n-0.000505 -0.000292 4.583025\nZn H O\n1 2 2\ndirect\n-0.000000 0.072095 -0.000000 Zn\n0.666434 0.405246 0.558795 H\n0.333563 0.738810 0.441207 H\n0.666510 0.405344 0.772137 O\n0.333487 0.738831 0.227864 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 3.9989257983549544,
"density_atomic": 0.12110844244958126,
"volume": 41.285313384172646,
"volume_molar": 4.972519370403993,
"formula_full": "Zn1 H2 O2",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5475954799999996,
"spacegroup": 164
},
{
"id": "jvasp-29799",
"created_at": "2022-09-04T14:37:27.992598Z",
"updated_at": "2022-09-04T14:37:27.992625Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.225037 -0.000007 -0.000003\n-1.612524 2.792966 -0.000000\n0.000003 0.000001 4.581949\nZn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.558687 H\n0.333335 0.666667 0.441314 H\n0.666667 0.333333 0.772080 O\n0.333334 0.666667 0.227921 O\n",
"nsites": 5,
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"elements": [
"Zn",
"H",
"O"
],
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"density": 4.000266029484739,
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"volume": 41.27148133855554,
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"formula_full": "Zn1 H2 O2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5476254799999996,
"spacegroup": 164
},
{
"id": "jvasp-54743",
"created_at": "2022-09-04T14:38:18.183467Z",
"updated_at": "2022-09-04T14:38:18.183491Z",
"structure_string": "Zn4 H8 O8\n1.0\n0.000000 4.825981 -0.017585\n8.580348 0.000000 0.000000\n0.000000 -0.018190 -5.104011\nZn H O\n4 8 8\ndirect\n0.676532 0.632901 0.642287 Zn\n0.823493 0.380215 0.142204 Zn\n0.176507 0.880215 0.857795 Zn\n0.323468 0.132901 0.357712 Zn\n0.289072 0.416674 0.360030 H\n0.210968 0.596450 0.860155 H\n0.710928 0.916674 0.639969 H\n0.789031 0.096450 0.139844 H\n0.994585 0.909337 0.328935 H\n0.005415 0.409337 0.671064 H\n0.494687 0.603820 0.171181 H\n0.505313 0.103820 0.828818 H\n0.362879 0.675381 0.885270 O\n0.568666 0.533098 0.311597 O\n0.931442 0.480032 0.811538 O\n0.068558 0.980032 0.188461 O\n0.431334 0.033098 0.688402 O\n0.862855 0.837753 0.614863 O\n0.637121 0.175381 0.114729 O\n0.137145 0.337753 0.385136 O\n",
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"elements": [
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"H",
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"density_atomic": 0.09462856281863281,
"volume": 211.35267623510714,
"volume_molar": 6.363977831452611,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5397374799999997,
"spacegroup": 19
},
{
"id": "jvasp-54739",
"created_at": "2022-09-04T14:38:12.287249Z",
"updated_at": "2022-09-04T14:38:12.287279Z",
"structure_string": "Zn4 H8 O8\n1.0\n4.825616 0.000000 0.000000\n0.000000 5.103708 0.000000\n0.000000 0.000000 8.581419\nZn H O\n4 8 8\ndirect\n0.573426 0.642397 0.123674 Zn\n0.426575 0.142397 0.376326 Zn\n0.073426 0.857604 0.876326 Zn\n0.926575 0.357603 0.623674 Zn\n0.961003 0.360290 0.339931 H\n0.038997 0.860290 0.160069 H\n0.538998 0.639710 0.839931 H\n0.461003 0.139710 0.660069 H\n0.255387 0.328711 0.847245 H\n0.244614 0.671289 0.347245 H\n0.755387 0.171289 0.152755 H\n0.744614 0.828712 0.652755 H\n0.887081 0.885364 0.081139 O\n0.681484 0.311741 0.223484 O\n0.318517 0.811741 0.276516 O\n0.181483 0.188260 0.776516 O\n0.818518 0.688260 0.723484 O\n0.387081 0.614636 0.918861 O\n0.612920 0.114636 0.581139 O\n0.112920 0.385364 0.418861 O\n",
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"volume": 211.34777805496074,
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"formula_full": "Zn4 H8 O8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 19
},
{
"id": "jvasp-54738",
"created_at": "2022-09-04T14:38:15.530019Z",
"updated_at": "2022-09-04T14:38:15.530047Z",
"structure_string": "Zn4 H8 O8\n1.0\n5.796284 0.000000 0.000000\n0.000000 5.938662 0.000000\n0.000000 0.000000 5.215924\nZn H O\n4 8 8\ndirect\n0.388872 0.099998 0.619778 Zn\n0.611127 0.599998 0.880221 Zn\n0.888872 0.400001 0.380221 Zn\n0.111127 0.900001 0.119778 Zn\n0.124699 0.774812 0.635196 H\n0.875300 0.274812 0.864802 H\n0.375301 0.225188 0.135197 H\n0.624698 0.725188 0.364803 H\n0.302359 0.571775 0.309468 H\n0.197641 0.428224 0.809468 H\n0.802358 0.928224 0.690531 H\n0.697641 0.071776 0.190531 H\n0.881062 0.413474 0.759247 O\n0.638811 0.878510 0.683273 O\n0.361189 0.378511 0.816725 O\n0.138811 0.621489 0.316726 O\n0.861188 0.121489 0.183274 O\n0.381062 0.086526 0.240752 O\n0.618937 0.586526 0.259248 O\n0.118937 0.913474 0.740752 O\n",
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"formula_reduced": "Zn(HO)2",
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"spacegroup": 19
}
]
}