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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4031",
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{
"id": "jvasp-67299",
"created_at": "2022-09-04T14:36:14.300763Z",
"updated_at": "2022-09-04T14:36:14.300781Z",
"structure_string": "Be1 Hg1 Pb1\n1.0\n1.785502 -3.092579 -0.000000\n1.785502 3.092579 0.000000\n-0.000000 -0.000000 5.930740\nBe Hg Pb\n1 1 1\ndirect\n0.000000 0.000000 0.968302 Be\n0.333332 0.666666 0.735663 Hg\n0.666666 0.333332 0.296036 Pb\n",
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"volume": 65.49679131020858,
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"formula_full": "Be1 Hg1 Pb1",
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{
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"created_at": "2022-09-04T14:36:08.690430Z",
"updated_at": "2022-09-04T14:36:08.690440Z",
"structure_string": "Be1 Hg1 Mo1\n1.0\n1.433862 -2.483523 0.000000\n1.433862 2.483523 -0.000000\n0.000000 -0.000000 6.662014\nBe Hg Mo\n1 1 1\ndirect\n0.000000 0.000000 0.012384 Be\n0.666666 0.333332 0.684142 Hg\n0.333332 0.666666 0.303473 Mo\n",
"nsites": 3,
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],
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"density": 10.693237060843554,
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"volume": 47.447253513444785,
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"formula_full": "Be1 Hg1 Mo1",
"formula_reduced": "BeHgMo",
"formula_anonymous": "ABC",
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"spacegroup": 156
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{
"id": "jvasp-66738",
"created_at": "2022-09-04T14:36:01.471854Z",
"updated_at": "2022-09-04T14:36:01.471880Z",
"structure_string": "Be1 Hg1 Ir1\n1.0\n-1.499035 1.499035 4.999575\n1.499035 -1.499035 4.999575\n1.499035 1.499035 -4.999575\nBe Hg Ir\n1 1 1\ndirect\n0.039818 0.039818 0.000000 Be\n0.335388 0.335388 0.000000 Hg\n0.624795 0.624795 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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"Hg",
"Ir"
],
"chemical_system": "Be-Hg-Ir",
"density": 14.84783516582766,
"density_atomic": 0.06675820173820793,
"volume": 44.93829854441691,
"volume_molar": 9.020825311646057,
"formula_full": "Be1 Hg1 Ir1",
"formula_reduced": "BeHgIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.429333933333333,
"spacegroup": 107
},
{
"id": "jvasp-70101",
"created_at": "2022-09-04T14:36:14.205384Z",
"updated_at": "2022-09-04T14:36:14.205404Z",
"structure_string": "Be1 Hg1 Ge4\n1.0\n-0.000000 3.958489 3.958489\n3.958489 -0.000000 3.958489\n3.958489 3.958489 -0.000000\nBe Hg Ge\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Hg\n0.122006 0.625999 0.625999 Ge\n0.625999 0.625999 0.625999 Ge\n0.625999 0.122006 0.625999 Ge\n0.625999 0.625999 0.122006 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Ge"
],
"chemical_system": "Be-Ge-Hg",
"density": 6.694861939188559,
"density_atomic": 0.04836519324904844,
"volume": 124.05615685445538,
"volume_molar": 12.45139397870282,
"formula_full": "Be1 Hg1 Ge4",
"formula_reduced": "BeHgGe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7405240833333333,
"spacegroup": 216
},
{
"id": "jvasp-69849",
"created_at": "2022-09-04T14:35:58.834819Z",
"updated_at": "2022-09-04T14:35:58.834844Z",
"structure_string": "Be1 Hg1 Br1\n1.0\n1.769792 -3.065370 0.000000\n1.769792 3.065370 -0.000000\n0.000000 0.000000 5.968689\nBe Hg Br\n1 1 1\ndirect\n0.000000 0.000000 0.991337 Be\n0.666666 0.333332 0.244566 Hg\n0.333332 0.666666 0.764098 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Br"
],
"chemical_system": "Be-Br-Hg",
"density": 7.42322907714379,
"density_atomic": 0.046324120026977667,
"volume": 64.76107907182904,
"volume_molar": 13.000011131334823,
"formula_full": "Be1 Hg1 Br1",
"formula_reduced": "BeHgBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2425283674999998,
"spacegroup": 156
},
{
"id": "jvasp-65129",
"created_at": "2022-09-04T14:36:19.632659Z",
"updated_at": "2022-09-04T14:36:19.632686Z",
"structure_string": "Be1 Hg4 Ru1\n1.0\n0.000000 3.973827 3.973827\n3.973827 0.000000 3.973827\n3.973827 3.973827 0.000000\nBe Hg Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125646 0.624785 0.624785 Hg\n0.624785 0.624785 0.624785 Hg\n0.624785 0.125646 0.624785 Hg\n0.624785 0.624785 0.125646 Hg\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"Ru"
],
"chemical_system": "Be-Hg-Ru",
"density": 12.072510380500441,
"density_atomic": 0.04780731862069428,
"volume": 125.50379676392872,
"volume_molar": 12.596692167113519,
"formula_full": "Be1 Hg4 Ru1",
"formula_reduced": "BeHg4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1334874999999999,
"spacegroup": 216
},
{
"id": "jvasp-65205",
"created_at": "2022-09-04T14:36:13.204803Z",
"updated_at": "2022-09-04T14:36:13.204834Z",
"structure_string": "Be1 Hg4 Pt1\n1.0\n0.000000 4.005721 4.005721\n4.005721 -0.000000 4.005721\n4.005721 4.005721 0.000000\nBe Hg Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125484 0.624838 0.624838 Hg\n0.624838 0.624838 0.624838 Hg\n0.624838 0.125484 0.624838 Hg\n0.624838 0.624838 0.125484 Hg\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pt"
],
"chemical_system": "Be-Hg-Pt",
"density": 13.00085402140521,
"density_atomic": 0.04667444505448163,
"volume": 128.55000189067886,
"volume_molar": 12.902436768065572,
"formula_full": "Be1 Hg4 Pt1",
"formula_reduced": "BeHg4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-70855",
"created_at": "2022-09-04T14:35:51.745517Z",
"updated_at": "2022-09-04T14:35:51.745536Z",
"structure_string": "Be1 Hg4 Pd1\n1.0\n0.000000 4.037263 4.037263\n4.037263 -0.000000 4.037263\n4.037263 4.037263 0.000000\nBe Hg Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125718 0.624761 0.624761 Hg\n0.624761 0.624761 0.624761 Hg\n0.624761 0.125718 0.624761 Hg\n0.624761 0.624761 0.125718 Hg\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pd"
],
"chemical_system": "Be-Hg-Pd",
"density": 11.579833922977668,
"density_atomic": 0.045589006696742755,
"volume": 131.61067622972993,
"volume_molar": 13.209633629570328,
"formula_full": "Be1 Hg4 Pd1",
"formula_reduced": "BeHg4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-72160",
"created_at": "2022-09-04T14:36:01.721345Z",
"updated_at": "2022-09-04T14:36:01.721368Z",
"structure_string": "Be1 Hg2 Te1\n1.0\n-1.973463 1.973463 6.639721\n1.973463 -1.973463 6.639721\n1.973463 1.973463 -6.639721\nBe Hg Te\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.749999 0.499999 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Te"
],
"chemical_system": "Be-Hg-Te",
"density": 8.633676727083301,
"density_atomic": 0.03867160459747962,
"volume": 103.43506667578762,
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"formula_full": "Be1 Hg2 Te1",
"formula_reduced": "BeHg2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-72124",
"created_at": "2022-09-04T14:35:53.093047Z",
"updated_at": "2022-09-04T14:35:53.093069Z",
"structure_string": "Be1 Hg2 Ru1\n1.0\n-1.980066 1.980066 4.248846\n1.980066 -1.980066 4.248846\n1.980066 1.980066 -4.248846\nBe Hg Ru\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.750001 0.500001 Ru\n",
"nsites": 4,
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"elements": [
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"Hg",
"Ru"
],
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"density": 12.740968794430124,
"density_atomic": 0.060030184298154286,
"volume": 66.63314542119414,
"volume_molar": 10.031854525199515,
"formula_full": "Be1 Hg2 Ru1",
"formula_reduced": "BeHg2Ru",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-72247",
"created_at": "2022-09-04T14:35:54.895729Z",
"updated_at": "2022-09-04T14:35:54.895764Z",
"structure_string": "Be1 Hg2 Pd1\n1.0\n-1.976059 1.976059 4.374086\n1.976059 -1.976059 4.374086\n1.976059 1.976059 -4.374086\nBe Hg Pd\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Hg-Pd",
"density": 12.556442630682259,
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"volume": 68.31988451858656,
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"formula_full": "Be1 Hg2 Pd1",
"formula_reduced": "BeHg2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4618939750000002,
"spacegroup": 119
},
{
"id": "jvasp-72450",
"created_at": "2022-09-04T14:35:55.366408Z",
"updated_at": "2022-09-04T14:35:55.366433Z",
"structure_string": "Be1 Hg2 Mo1\n1.0\n-1.967468 1.967468 4.462604\n1.967468 -1.967468 4.462604\n1.967468 1.967468 -4.462604\nBe Hg Mo\n1 2 1\ndirect\n0.750000 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.750000 0.500001 Mo\n",
"nsites": 4,
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"elements": [
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"formula_full": "Be1 Hg2 Mo1",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
}
]
}