HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4611",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4609",
"results": [
{
"id": "jvasp-81072",
"created_at": "2022-09-04T14:37:19.713509Z",
"updated_at": "2022-09-04T14:37:19.713524Z",
"structure_string": "Zr1 Hg1 Au2\n1.0\n-11.251701 2.892872 -1.772109\n-8.192858 0.692896 1.200198\n-6.807551 4.611129 -1.199218\nZr Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 -0.000000 Hg\n0.749979 0.000013 0.000012 Au\n0.250021 -0.000013 -0.000013 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Zr",
"density": 14.570961407974915,
"density_atomic": 0.05118410316292224,
"volume": 78.14926418204001,
"volume_molar": 11.76564672986678,
"formula_full": "Zr1 Hg1 Au2",
"formula_reduced": "ZrHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7905910599999999,
"spacegroup": 225
},
{
"id": "jvasp-76853",
"created_at": "2022-09-04T14:37:11.287361Z",
"updated_at": "2022-09-04T14:37:11.287384Z",
"structure_string": "Zr1 Hg1 Au2\n1.0\n-9.942266 0.000000 -5.740170\n-6.313832 -1.290525 -0.544461\n-4.810340 2.961993 -3.148587\nZr Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Hg\n0.761406 0.000001 0.000000 Au\n0.238593 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Zr",
"density": 13.156422945575637,
"density_atomic": 0.04621518721014651,
"volume": 86.55163467826011,
"volume_molar": 13.030653176014495,
"formula_full": "Zr1 Hg1 Au2",
"formula_reduced": "ZrHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8970560599999999,
"spacegroup": 71
},
{
"id": "jvasp-36610",
"created_at": "2022-09-04T14:37:27.748172Z",
"updated_at": "2022-09-04T14:37:27.748200Z",
"structure_string": "Zr1 Hg1 O3\n1.0\n4.155974 -0.000000 0.000000\n0.000000 4.155974 -0.000000\n-0.000000 -0.000000 4.155974\nZr Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Hg",
"O"
],
"chemical_system": "Hg-O-Zr",
"density": 7.86085161886346,
"density_atomic": 0.06965487842789198,
"volume": 71.78248118222032,
"volume_molar": 8.64568411562764,
"formula_full": "Zr1 Hg1 O3",
"formula_reduced": "ZrHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7025159199999995,
"spacegroup": 221
},
{
"id": "jvasp-123401",
"created_at": "2022-09-04T14:38:54.185918Z",
"updated_at": "2022-09-04T14:38:54.185938Z",
"structure_string": "Zr1 I1\n1.0\n1.787527 -3.096084 -0.000000\n1.787527 3.096084 -0.000000\n0.000000 0.000000 4.531171\nZr I\n1 1\ndirect\n0.333334 0.666667 0.750000 Zr\n0.666667 0.333334 0.250000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 7.221969622863791,
"density_atomic": 0.039877158308000496,
"volume": 50.15402513269716,
"volume_molar": 15.101729951483998,
"formula_full": "Zr1 I1",
"formula_reduced": "ZrI",
"formula_anonymous": "AB",
"energy_above_hull": 1.2626303874999998,
"spacegroup": 187
},
{
"id": "jvasp-12143",
"created_at": "2022-09-04T14:37:16.473978Z",
"updated_at": "2022-09-04T14:37:16.473994Z",
"structure_string": "Zr4 I8\n1.0\n3.773247 0.000000 0.000000\n0.000000 6.848319 -0.674144\n0.000000 0.010402 15.059258\nZr I\n4 8\ndirect\n0.250000 0.687365 0.996748 Zr\n0.250000 0.188692 0.503665 Zr\n0.750001 0.312635 0.003253 Zr\n0.750001 0.811308 0.496336 Zr\n0.250000 0.602920 0.609687 I\n0.750001 0.397080 0.390313 I\n0.750001 0.551217 0.852990 I\n0.750001 0.944816 0.109782 I\n0.250000 0.448783 0.147011 I\n0.750001 0.111572 0.647105 I\n0.250000 0.055184 0.890219 I\n0.250000 0.888428 0.352896 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.888942681085296,
"density_atomic": 0.030835353081351928,
"volume": 389.1636968884638,
"volume_molar": 19.529988011202526,
"formula_full": "Zr4 I8",
"formula_reduced": "ZrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7769423500000003,
"spacegroup": 11
},
{
"id": "jvasp-29630",
"created_at": "2022-09-04T14:37:06.794111Z",
"updated_at": "2022-09-04T14:37:06.794130Z",
"structure_string": "Zr4 I8\n1.0\n3.773592 0.000000 0.000000\n0.000000 6.882684 0.000000\n0.000000 0.000000 14.989308\nZr I\n4 8\ndirect\n0.000000 0.491478 0.007146 Zr\n0.000000 0.884449 0.500236 Zr\n0.500000 0.115550 0.000236 Zr\n0.500000 0.508521 0.507146 Zr\n0.000000 0.883102 0.113529 I\n0.500000 0.778602 0.356614 I\n0.000000 0.221397 0.856614 I\n0.500000 0.724924 0.894102 I\n0.500000 0.116898 0.613529 I\n0.500000 0.384150 0.150674 I\n0.000000 0.275076 0.394102 I\n0.000000 0.615850 0.650674 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.886745912518347,
"density_atomic": 0.03082385048435477,
"volume": 389.3089218717443,
"volume_molar": 19.537276055295724,
"formula_full": "Zr4 I8",
"formula_reduced": "ZrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.777069016666667,
"spacegroup": 31
},
{
"id": "jvasp-12886",
"created_at": "2022-09-04T14:37:07.219454Z",
"updated_at": "2022-09-04T14:37:07.219480Z",
"structure_string": "Zr6 I12\n1.0\n8.667909 -0.016865 -2.686659\n-3.640959 7.866154 -2.686657\n-0.010800 -0.016867 9.074728\nZr I\n6 12\ndirect\n0.907773 0.969660 0.723275 Zr\n0.969661 0.723274 0.907773 Zr\n0.723275 0.907773 0.969661 Zr\n0.092226 0.030339 0.276724 Zr\n0.030339 0.276724 0.092226 Zr\n0.276724 0.092226 0.030339 Zr\n0.770652 0.921948 0.311614 I\n0.688386 0.229347 0.078050 I\n0.078050 0.688385 0.229347 I\n0.229347 0.078050 0.688386 I\n0.545117 0.850561 0.621186 I\n0.454882 0.149437 0.378814 I\n0.621186 0.545117 0.850562 I\n0.921949 0.311613 0.770652 I\n0.149438 0.378813 0.454882 I\n0.378813 0.454882 0.149438 I\n0.850562 0.621185 0.545117 I\n0.311614 0.770652 0.921949 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.567942018290443,
"density_atomic": 0.029154547321700162,
"volume": 617.3993991874582,
"volume_molar": 20.655922705812795,
"formula_full": "Zr6 I12",
"formula_reduced": "ZrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8010623500000003,
"spacegroup": 148
},
{
"id": "jvasp-14322",
"created_at": "2022-09-04T14:37:13.465351Z",
"updated_at": "2022-09-04T14:37:13.465368Z",
"structure_string": "Zr2 I6\n1.0\n3.664276 -6.346713 0.000000\n3.664276 6.346713 0.000000\n0.000000 -0.000000 6.554641\nZr I\n2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.330089 0.000000 0.750000 I\n0.000001 0.669912 0.250000 I\n0.330089 0.330089 0.250000 I\n0.669912 0.669912 0.750000 I\n0.000000 0.330089 0.750000 I\n0.669912 0.000001 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.140999410932522,
"density_atomic": 0.026240617043189505,
"volume": 304.87087963033713,
"volume_molar": 22.949691884486334,
"formula_full": "Zr2 I6",
"formula_reduced": "ZrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5903433312500002,
"spacegroup": 193
},
{
"id": "jvasp-86898",
"created_at": "2022-09-04T14:35:44.813707Z",
"updated_at": "2022-09-04T14:35:44.813726Z",
"structure_string": "Zr4 I12\n1.0\n6.554816 -0.000000 0.000000\n0.000000 7.329835 0.000000\n0.000000 0.000000 12.696272\nZr I\n4 12\ndirect\n0.500064 0.249828 0.750000 Zr\n-0.000064 0.249828 0.750000 Zr\n0.499936 0.750171 0.250000 Zr\n0.000064 0.750171 0.250000 Zr\n0.250000 0.414876 0.914993 I\n0.250000 0.919804 0.750000 I\n0.250000 0.915157 0.084963 I\n0.250000 0.915157 0.415036 I\n0.750000 0.084842 0.584963 I\n0.750000 0.585124 0.414993 I\n0.750000 0.579896 0.750000 I\n0.750000 0.084842 0.915036 I\n0.750000 0.585124 0.085007 I\n0.750000 0.080195 0.250000 I\n0.250000 0.420103 0.250000 I\n0.250000 0.414876 0.585007 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.138810134998581,
"density_atomic": 0.026229442571692338,
"volume": 610.0015261958986,
"volume_molar": 22.959469091040802,
"formula_full": "Zr4 I12",
"formula_reduced": "ZrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5903983312500002,
"spacegroup": 193
},
{
"id": "jvasp-86295",
"created_at": "2022-09-04T14:35:43.487603Z",
"updated_at": "2022-09-04T14:35:43.487631Z",
"structure_string": "Zr4 I12\n1.0\n6.554240 -0.000000 0.000000\n0.000000 7.329765 0.000000\n0.000000 0.000000 12.694960\nZr I\n4 12\ndirect\n0.499875 0.249792 0.750000 Zr\n0.000125 0.249792 0.750000 Zr\n0.500125 0.750207 0.250000 Zr\n-0.000125 0.750207 0.250000 Zr\n0.250000 0.414871 0.915038 I\n0.250000 0.919696 0.750000 I\n0.250000 0.915155 0.084967 I\n0.250000 0.915155 0.415033 I\n0.750000 0.084844 0.584967 I\n0.750000 0.585128 0.415038 I\n0.750000 0.579823 0.750000 I\n0.750000 0.084844 0.915033 I\n0.750000 0.585128 0.084962 I\n0.750000 0.080303 0.250000 I\n0.250000 0.420176 0.250000 I\n0.250000 0.414871 0.584962 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.139841962612958,
"density_atomic": 0.02623470921172071,
"volume": 609.8790678743939,
"volume_molar": 22.954859958232465,
"formula_full": "Zr4 I12",
"formula_reduced": "ZrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5904258312500001,
"spacegroup": 193
},
{
"id": "jvasp-32822",
"created_at": "2022-09-04T14:38:04.480367Z",
"updated_at": "2022-09-04T14:38:04.480394Z",
"structure_string": "Zr6 I24\n1.0\n8.374431 0.000000 0.000000\n0.000000 8.171531 -1.924178\n0.000000 -0.020275 17.938382\nZr I\n6 24\ndirect\n0.876865 0.199180 0.583319 Zr\n0.123135 0.800819 0.416681 Zr\n0.598089 -0.000000 0.750000 Zr\n0.876865 0.800819 0.916681 Zr\n0.123135 0.199180 0.083319 Zr\n0.401910 -0.000000 0.250000 Zr\n0.643821 0.920623 0.585861 I\n0.356179 0.079376 0.414139 I\n0.874883 0.235732 0.747479 I\n0.121750 0.415128 0.589646 I\n0.877696 0.928090 0.080721 I\n0.356179 0.920623 0.085861 I\n0.611785 0.749960 0.244251 I\n0.627508 0.403727 0.577402 I\n0.643821 0.079376 0.914139 I\n0.627508 0.596272 0.922598 I\n0.878250 0.584871 0.410354 I\n0.878250 0.415128 0.089646 I\n0.874883 0.764267 0.752521 I\n0.372492 0.403727 0.077402 I\n0.388215 0.749960 0.744251 I\n0.122304 0.071909 0.919278 I\n0.125117 0.764267 0.252521 I\n0.125117 0.235733 0.247479 I\n0.372492 0.596273 0.422598 I\n0.122304 0.928090 0.580721 I\n0.611785 0.250040 0.255749 I\n0.121750 0.584871 0.910354 I\n0.388215 0.250039 0.755749 I\n0.877696 0.071909 0.419278 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 4.861677031041295,
"density_atomic": 0.02444527044493558,
"volume": 1227.2312579881977,
"volume_molar": 24.63519793558934,
"formula_full": "Zr6 I24",
"formula_reduced": "ZrI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4564119199999997,
"spacegroup": 13
},
{
"id": "jvasp-123402",
"created_at": "2022-09-04T14:38:50.748824Z",
"updated_at": "2022-09-04T14:38:50.748849Z",
"structure_string": "Zr1 In1\n1.0\n1.606119 -2.781877 -0.000000\n1.606119 2.781877 -0.000000\n0.000000 0.000000 5.144533\nZr In\n1 1\ndirect\n0.333334 0.666667 0.749999 Zr\n0.666667 0.333334 0.250000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.442404279126337,
"density_atomic": 0.04350492246941273,
"volume": 45.97180931436326,
"volume_molar": 13.842435334148734,
"formula_full": "Zr1 In1",
"formula_reduced": "ZrIn",
"formula_anonymous": "AB",
"energy_above_hull": 1.1788672350000002,
"spacegroup": 187
}
]
}