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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4456",
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{
"id": "jvasp-109507",
"created_at": "2022-09-04T14:37:59.305766Z",
"updated_at": "2022-09-04T14:37:59.305800Z",
"structure_string": "Ca3 Ho1\n1.0\n5.301091 -0.000000 0.000000\n0.000000 5.301091 0.000000\n-0.000000 -0.000000 5.301091\nCa Ho\n3 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n",
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"density": 3.1786924048971867,
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{
"id": "jvasp-21680",
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"updated_at": "2022-09-04T14:38:31.386197Z",
"structure_string": "Ca6 Hg4\n1.0\n8.503955 -0.000000 0.000000\n-0.000000 8.503955 0.000000\n-0.000000 -0.000000 4.114879\nCa Hg\n6 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.654060 0.154061 0.500000 Ca\n0.154061 0.345939 0.500000 Ca\n0.845939 0.654060 0.500000 Ca\n0.345939 0.845939 0.500000 Ca\n0.855936 0.355936 0.000000 Hg\n0.355936 0.144063 0.000000 Hg\n0.644063 0.855936 0.000000 Hg\n0.144063 0.644063 0.000000 Hg\n",
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"elements": [
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"density": 5.81919358681838,
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{
"id": "jvasp-54988",
"created_at": "2022-09-04T14:37:11.735474Z",
"updated_at": "2022-09-04T14:37:11.735491Z",
"structure_string": "Ca12 Hg4\n1.0\n8.159607 0.000000 -2.884857\n-4.079803 7.066427 -2.884857\n-0.000000 -0.000000 8.654571\nCa Hg\n12 4\ndirect\n0.250000 0.500000 0.750000 Ca\n0.750001 0.500000 0.250000 Ca\n0.000000 0.250000 0.250000 Ca\n0.500000 0.250000 0.750000 Ca\n0.750000 0.000000 0.750000 Ca\n0.000000 0.750000 0.750000 Ca\n0.250000 0.000000 0.250000 Ca\n0.250000 0.250000 -0.000000 Ca\n0.250001 0.750000 0.500000 Ca\n0.500001 0.750000 0.250000 Ca\n0.750000 0.250000 0.500000 Ca\n0.750001 0.750000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.000000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Hg",
"density": 4.270328395020197,
"density_atomic": 0.03206308592265365,
"volume": 499.0162219131709,
"volume_molar": 18.782162061778198,
"formula_full": "Ca12 Hg4",
"formula_reduced": "Ca3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-40907",
"created_at": "2022-09-04T14:37:39.915864Z",
"updated_at": "2022-09-04T14:37:39.915888Z",
"structure_string": "Ca2 Hg6\n1.0\n3.340613 -5.786111 0.000000\n3.340613 5.786111 0.000000\n-0.000000 0.000000 5.165777\nCa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.835174 0.670348 0.750000 Hg\n0.835174 0.164825 0.750000 Hg\n0.329651 0.164825 0.750000 Hg\n0.164825 0.329651 0.250000 Hg\n0.164825 0.835174 0.250000 Hg\n0.670348 0.835174 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Hg",
"density": 10.674135407137607,
"density_atomic": 0.040060042835871904,
"volume": 199.70023578797506,
"volume_molar": 15.032786621504693,
"formula_full": "Ca2 Hg6",
"formula_reduced": "CaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2137033870967742,
"spacegroup": 194
},
{
"id": "jvasp-96916",
"created_at": "2022-09-04T14:36:49.325642Z",
"updated_at": "2022-09-04T14:36:49.325656Z",
"structure_string": "Ca3 Hg33\n1.0\n9.935092 -0.000000 0.000000\n0.000000 9.935092 0.000000\n0.000000 0.000000 9.935092\nCa Hg\n3 33\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.657380 0.000000 0.657380 Hg\n0.342619 0.657380 0.000000 Hg\n0.000000 0.657380 0.657380 Hg\n0.500000 0.263515 0.263515 Hg\n0.500000 0.736485 0.263515 Hg\n0.500000 0.263515 0.736485 Hg\n0.736485 0.263515 0.500000 Hg\n0.342619 0.000000 0.657380 Hg\n0.736485 0.500000 0.263515 Hg\n0.263515 0.500000 0.263515 Hg\n0.736485 0.736485 0.500000 Hg\n0.263515 0.500000 0.736485 Hg\n0.736485 0.500000 0.736485 Hg\n0.263515 0.263515 0.500000 Hg\n0.657380 0.657380 0.000000 Hg\n0.657380 0.000000 0.342619 Hg\n0.263515 0.736485 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.152416 0.152416 0.152416 Hg\n0.152416 0.847584 0.152416 Hg\n0.152416 0.152416 0.847584 Hg\n0.847584 0.152416 0.152416 Hg\n0.847584 0.847584 0.152416 Hg\n0.342619 0.000000 0.342619 Hg\n0.152416 0.847584 0.847584 Hg\n0.847584 0.847584 0.847584 Hg\n0.000000 0.342619 0.342619 Hg\n0.000000 0.657380 0.342619 Hg\n0.000000 0.342619 0.657380 Hg\n0.342619 0.342619 0.000000 Hg\n0.657380 0.342619 0.000000 Hg\n0.847584 0.152416 0.847584 Hg\n0.500000 0.736485 0.736485 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 11.412327903289455,
"density_atomic": 0.03671020599775403,
"volume": 980.65371799337,
"volume_molar": 16.404540907148387,
"formula_full": "Ca3 Hg33",
"formula_reduced": "CaHg11",
"formula_anonymous": "AB11",
"energy_above_hull": 0.0,
"spacegroup": 221
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{
"id": "jvasp-90742",
"created_at": "2022-09-04T14:35:52.340893Z",
"updated_at": "2022-09-04T14:35:52.340921Z",
"structure_string": "Ca2 Hg6\n1.0\n0.000000 0.000000 -5.166216\n-3.341101 -5.785284 -0.000000\n-3.341101 5.785284 0.000000\nCa Hg\n2 6\ndirect\n0.750001 0.666651 0.333349 Ca\n0.250000 0.333349 0.666651 Ca\n0.750001 0.164821 0.329757 Hg\n0.750001 0.164766 0.835234 Hg\n0.750001 0.670243 0.835179 Hg\n0.250000 0.835179 0.670243 Hg\n0.250000 0.835234 0.164766 Hg\n0.250000 0.329757 0.164821 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 10.673194946411659,
"density_atomic": 0.04005651328565262,
"volume": 199.71783222743522,
"volume_molar": 15.03411122444599,
"formula_full": "Ca2 Hg6",
"formula_reduced": "CaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2137258870967741,
"spacegroup": 194
},
{
"id": "jvasp-16465",
"created_at": "2022-09-04T14:38:14.839951Z",
"updated_at": "2022-09-04T14:38:14.839974Z",
"structure_string": "Ca1 Hg1\n1.0\n3.750670 0.000000 -0.000000\n0.000000 3.750670 -0.000000\n0.000000 0.000000 3.750670\nCa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 7.57427174025545,
"density_atomic": 0.03790560489144504,
"volume": 52.76264567542576,
"volume_molar": 15.88720395637096,
"formula_full": "Ca1 Hg1",
"formula_reduced": "CaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2837259677419354,
"spacegroup": 221
},
{
"id": "jvasp-16466",
"created_at": "2022-09-04T14:38:12.595919Z",
"updated_at": "2022-09-04T14:38:12.595942Z",
"structure_string": "Ca1 Hg2\n1.0\n2.493429 -4.318746 -0.000000\n2.493429 4.318746 0.000000\n0.000000 -0.000000 3.540799\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 9.608503470726427,
"density_atomic": 0.03934008703320477,
"volume": 76.25809260329973,
"volume_molar": 15.30789892487286,
"formula_full": "Ca1 Hg2",
"formula_reduced": "CaHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2775559139784946,
"spacegroup": 191
},
{
"id": "jvasp-12559",
"created_at": "2022-09-04T14:38:14.608751Z",
"updated_at": "2022-09-04T14:38:14.608767Z",
"structure_string": "Ca4 H8\n1.0\n3.551940 -0.000000 0.000000\n-0.000000 5.885148 0.000000\n0.000000 0.000000 6.771786\nCa H\n4 8\ndirect\n0.250000 0.739682 0.611680 Ca\n0.750000 0.260318 0.388320 Ca\n0.250000 0.239682 0.888320 Ca\n0.750000 0.760318 0.111680 Ca\n0.250000 0.473390 0.175932 H\n0.750000 0.526610 0.824069 H\n0.250000 0.973390 0.324069 H\n0.750000 0.026610 0.675932 H\n0.750000 0.644332 0.427947 H\n0.250000 0.355668 0.572054 H\n0.750000 0.144332 0.072054 H\n0.250000 0.855668 0.927947 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
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"density": 1.9751578642030938,
"density_atomic": 0.08477250388105735,
"volume": 141.555332809763,
"volume_molar": 7.103884495908659,
"formula_full": "Ca4 H8",
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"energy_above_hull": 1.164366806666667,
"spacegroup": 62
},
{
"id": "jvasp-5296",
"created_at": "2022-09-04T14:36:52.454502Z",
"updated_at": "2022-09-04T14:36:52.454525Z",
"structure_string": "Ca2 H4\n1.0\n1.902243 -3.294781 0.000000\n1.902243 3.294781 0.000000\n0.000000 0.000000 5.316893\nCa H\n2 4\ndirect\n0.666666 0.333332 0.750000 Ca\n0.333332 0.666666 0.250000 Ca\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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"formula_full": "Ca2 H4",
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},
{
"id": "jvasp-99644",
"created_at": "2022-09-04T14:36:55.495922Z",
"updated_at": "2022-09-04T14:36:55.495937Z",
"structure_string": "Ca2 H4\n1.0\n3.803637 0.027025 0.000000\n-1.925994 3.280081 0.000000\n-0.000000 0.000000 5.310288\nCa H\n2 4\ndirect\n0.166606 0.833394 0.250000 Ca\n0.833396 0.166606 0.750000 Ca\n0.833303 0.166699 0.250000 H\n0.166699 0.833302 0.750000 H\n0.500001 0.500000 -0.000000 H\n0.500001 0.500000 0.500000 H\n",
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},
{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
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"spacegroup": 63
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}