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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1549",
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{
"id": "jvasp-86297",
"created_at": "2022-09-04T14:35:59.077028Z",
"updated_at": "2022-09-04T14:35:59.077059Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249415 0.000036 -0.000045\n0.000036 6.165178 -0.229561\n-0.000142 -0.002242 11.542277\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214667 0.449073 0.628488 C\n0.785333 0.550928 0.371512 C\n0.644723 0.837252 0.842996 C\n0.855291 0.837260 0.342992 C\n0.355277 0.162749 0.157004 Se\n0.144710 0.162741 0.657008 Se\n0.285329 0.449090 0.128488 Se\n0.714671 0.550912 0.871512 Se\n0.749942 0.364706 0.883148 N\n0.250058 0.635295 0.116852 N\n0.750060 0.364724 0.383150 N\n0.249940 0.635278 0.616850 N\n",
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"elements": [
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],
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"density_atomic": 0.04629828645780099,
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"volume_molar": 13.007264891950024,
"formula_full": "Hg2 C4 Se4 N4",
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{
"id": "jvasp-29750",
"created_at": "2022-09-04T14:37:13.087629Z",
"updated_at": "2022-09-04T14:37:13.087655Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.973256 -0.000332 -0.000016\n-1.987033 5.445417 -0.434872\n0.000029 0.074281 6.383516\nHg C S N\n1 2 2 2\ndirect\n0.002176 0.998920 -0.000555 Hg\n0.740306 0.474940 0.773638 C\n0.264436 0.522900 0.225238 C\n0.873898 0.742522 0.668476 S\n0.130876 0.255321 0.330403 S\n0.643251 0.280609 0.843183 N\n0.361456 0.717231 0.155694 N\n",
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"elements": [
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],
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"density": 3.8049108659988615,
"density_atomic": 0.050637263193965776,
"volume": 138.2381186990011,
"volume_molar": 11.892705845756753,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036558728571428,
"spacegroup": 12
},
{
"id": "jvasp-52006",
"created_at": "2022-09-04T14:37:39.043175Z",
"updated_at": "2022-09-04T14:37:39.043185Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.972399 -0.003105 0.002189\n-1.987214 5.464954 0.021550\n-0.000770 -0.455082 6.366037\nHg C S N\n1 2 2 2\ndirect\n0.995188 -0.000440 0.000303 Hg\n0.733281 0.475819 0.774503 C\n0.256915 0.523290 0.226086 C\n0.866238 0.743449 0.669298 S\n0.123926 0.255663 0.331298 S\n0.636600 0.281462 0.844078 N\n0.353618 0.717641 0.156493 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"C",
"S",
"N"
],
"chemical_system": "C-Hg-N-S",
"density": 3.8059101748760757,
"density_atomic": 0.05065056239292462,
"volume": 138.20182184152472,
"volume_molar": 11.88958320597292,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036555871428572,
"spacegroup": 12
},
{
"id": "jvasp-118541",
"created_at": "2022-09-04T14:38:53.212732Z",
"updated_at": "2022-09-04T14:38:53.212763Z",
"structure_string": "Hg1 C3\n1.0\n3.341888 0.926381 0.217297\n-0.855773 -3.319315 -0.025150\n-1.005046 -1.459495 -5.969163\nHg C\n1 3\ndirect\n0.897452 0.793881 0.068494 Hg\n0.772922 0.910527 0.709348 C\n0.700708 -0.018766 0.495231 C\n0.624493 0.054529 0.271074 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 6.448752052284547,
"density_atomic": 0.0656494766948938,
"volume": 60.929655518657306,
"volume_molar": 9.173174049791628,
"formula_full": "Hg1 C3",
"formula_reduced": "HgC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.47195615,
"spacegroup": 160
},
{
"id": "jvasp-118544",
"created_at": "2022-09-04T14:38:53.252522Z",
"updated_at": "2022-09-04T14:38:53.252539Z",
"structure_string": "Hg1 Cl1\n1.0\n4.040703 0.000000 0.000000\n-0.000000 4.040703 0.000000\n-0.000000 0.000000 3.322457\nHg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 7.225484838735082,
"density_atomic": 0.036868610188097665,
"volume": 54.246688166337826,
"volume_molar": 16.334059595075637,
"formula_full": "Hg1 Cl1",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.270646,
"spacegroup": 123
},
{
"id": "jvasp-1939",
"created_at": "2022-09-04T14:36:34.798601Z",
"updated_at": "2022-09-04T14:36:34.798611Z",
"structure_string": "Hg2 Cl2\n1.0\n4.209515 -0.000000 -1.598455\n-0.606972 4.165525 -1.598455\n0.015768 0.018231 6.383609\nHg Cl\n2 2\ndirect\n0.882737 0.882738 0.765477 Hg\n0.117263 0.117263 0.234524 Hg\n0.659043 0.659044 0.318086 Cl\n0.340957 0.340957 0.681915 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
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"chemical_system": "Cl-Hg",
"density": 6.987973592890621,
"density_atomic": 0.03565669019466206,
"volume": 112.18091130058994,
"volume_molar": 16.889230960930682,
"formula_full": "Hg2 Cl2",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.124196,
"spacegroup": 139
},
{
"id": "jvasp-116163",
"created_at": "2022-09-04T14:38:40.774507Z",
"updated_at": "2022-09-04T14:38:40.774535Z",
"structure_string": "Hg2 Cl2\n1.0\n4.655609 -0.000000 0.000000\n0.000000 4.655609 0.000000\n0.000000 -0.000000 5.338268\nHg Cl\n2 2\ndirect\n0.000000 0.000000 0.250103 Hg\n0.500001 0.500001 0.749898 Hg\n0.000000 0.000000 0.750103 Cl\n0.500001 0.500001 0.249897 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Cl"
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"chemical_system": "Cl-Hg",
"density": 6.775117749910342,
"density_atomic": 0.034570576352303956,
"volume": 115.70533158708591,
"volume_molar": 17.41984483749764,
"formula_full": "Hg2 Cl2",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.244801,
"spacegroup": 139
},
{
"id": "jvasp-116164",
"created_at": "2022-09-04T14:38:40.790260Z",
"updated_at": "2022-09-04T14:38:40.790284Z",
"structure_string": "Hg1 Cl1\n1.0\n3.471743 -0.000000 -0.000000\n-0.000000 3.471743 0.000000\n0.000000 0.000000 5.154843\nHg Cl\n1 1\ndirect\n0.000000 0.000000 0.749996 Hg\n0.000000 0.000000 0.250003 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 6.308551365412486,
"density_atomic": 0.0321898843239012,
"volume": 62.13131988532767,
"volume_molar": 18.708177697701515,
"formula_full": "Hg1 Cl1",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.318061,
"spacegroup": 123
},
{
"id": "jvasp-4180",
"created_at": "2022-09-04T14:37:36.866961Z",
"updated_at": "2022-09-04T14:37:36.866982Z",
"structure_string": "Hg4 Cl8\n1.0\n4.320950 0.000000 0.000000\n0.000000 6.022414 0.000000\n0.000000 0.000000 12.674642\nHg Cl\n4 8\ndirect\n0.533283 0.750000 0.625963 Hg\n0.033283 0.250000 0.874037 Hg\n0.466717 0.250000 0.374037 Hg\n0.966717 0.750000 0.125963 Hg\n0.300005 0.750000 0.981765 Cl\n0.800005 0.250000 0.518235 Cl\n0.699995 0.250000 0.018235 Cl\n0.199995 0.750000 0.481765 Cl\n0.635639 0.750000 0.270907 Cl\n0.135639 0.250000 0.229093 Cl\n0.364361 0.250000 0.729093 Cl\n0.864361 0.750000 0.770907 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 5.467477128450219,
"density_atomic": 0.03638276462377307,
"volume": 329.8265023037587,
"volume_molar": 16.552180193764162,
"formula_full": "Hg4 Cl8",
"formula_reduced": "HgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-116167",
"created_at": "2022-09-04T14:38:41.513619Z",
"updated_at": "2022-09-04T14:38:41.513636Z",
"structure_string": "Hg1 Cl3\n1.0\n5.027757 -0.503968 -0.110066\n0.867301 -6.415749 0.499467\n1.194387 -0.667467 -3.770523\nHg Cl\n1 3\ndirect\n0.062488 0.976559 0.879675 Hg\n0.465134 0.680955 0.138610 Cl\n0.951959 0.694448 0.635694 Cl\n0.078517 0.237784 0.235669 Cl\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.227327125465378,
"density_atomic": 0.03317496912766131,
"volume": 120.57283262593296,
"volume_molar": 18.15266424763222,
"formula_full": "Hg1 Cl3",
"formula_reduced": "HgCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.056631016875,
"spacegroup": 1
},
{
"id": "jvasp-12168",
"created_at": "2022-09-04T14:38:26.899383Z",
"updated_at": "2022-09-04T14:38:26.899406Z",
"structure_string": "Hg2 Cl4 O12\n1.0\n5.826647 0.000000 0.061830\n0.000000 5.105594 0.000000\n-1.933799 0.000000 9.471929\nHg Cl O\n2 4 12\ndirect\n0.986435 0.685792 0.184368 Hg\n0.013566 0.185792 0.815632 Hg\n0.291938 0.218520 0.574662 Cl\n0.637757 0.741312 0.849726 Cl\n0.362243 0.241312 0.150274 Cl\n0.708062 0.718520 0.425338 Cl\n0.821130 0.962858 0.936001 O\n0.760744 0.636004 0.742612 O\n0.462178 0.642473 0.381427 O\n0.366402 0.050077 0.037725 O\n0.633599 0.550078 0.962275 O\n0.178870 0.462859 0.063999 O\n0.239256 0.136004 0.257388 O\n0.768732 0.894979 0.294252 O\n0.231268 0.394979 0.705748 O\n0.137880 0.989357 0.573843 O\n0.537822 0.142473 0.618574 O\n0.862120 0.489357 0.426157 O\n",
"nsites": 18,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 4.321994074071918,
"density_atomic": 0.06374251826227535,
"volume": 282.3860821741791,
"volume_molar": 9.447604086210186,
"formula_full": "Hg2 Cl4 O12",
"formula_reduced": "Hg(ClO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.826450653148148,
"spacegroup": 4
},
{
"id": "jvasp-98831",
"created_at": "2022-09-04T14:36:02.698036Z",
"updated_at": "2022-09-04T14:36:02.698055Z",
"structure_string": "Hg4 C8 N8\n1.0\n7.707745 -0.028976 -2.377662\n-4.205397 6.459475 -2.377662\n0.015782 0.028976 8.066125\nHg C N\n4 8 8\ndirect\n0.375000 0.321758 0.446758 Hg\n0.678242 0.125000 0.053242 Hg\n0.071758 0.625000 0.946758 Hg\n0.875000 0.928241 0.553241 Hg\n0.213193 0.360152 0.228260 C\n0.734933 0.381892 0.271740 C\n0.618107 0.889847 0.353041 C\n0.110152 0.463194 0.728260 C\n0.131892 0.984933 0.771739 C\n0.639847 0.868107 0.853041 C\n0.015066 0.786806 0.146959 C\n0.536807 0.265066 0.646959 C\n-0.002526 0.888916 0.267602 N\n0.621315 0.729872 0.732398 N\n0.128685 0.361083 0.608557 N\n0.638917 0.247474 0.767602 N\n0.270128 0.002526 0.891442 N\n0.752525 0.520127 0.391442 N\n0.111083 0.378685 0.108557 N\n0.479872 0.871314 0.232398 N\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-Hg-N",
"density": 4.1774149930047555,
"density_atomic": 0.04979119450961023,
"volume": 401.6774491349025,
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"formula_full": "Hg4 C8 N8",
"formula_reduced": "Hg(CN)2",
"formula_anonymous": "AB2C2",
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}
]
}