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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=824",
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"results": [
{
"id": "jvasp-7726",
"created_at": "2022-09-04T14:36:38.435654Z",
"updated_at": "2022-09-04T14:36:38.435671Z",
"structure_string": "Ba2 Sn2 Hg2\n1.0\n2.497719 -4.326175 -0.000000\n2.497719 4.326175 0.000000\n0.000000 0.000000 9.521905\nBa Sn Hg\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.750000 Sn\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Sn",
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"density": 7.369519627530431,
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"volume": 205.7792124012433,
"volume_molar": 20.65385637603708,
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"spacegroup": 194
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{
"id": "jvasp-69026",
"created_at": "2022-09-04T14:36:15.156598Z",
"updated_at": "2022-09-04T14:36:15.156626Z",
"structure_string": "Ba2 Sn1 Hg1\n1.0\n0.000000 4.210520 4.210520\n4.210520 0.000000 4.210520\n4.210520 4.210520 -0.000000\nBa Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"density": 6.606397625830391,
"density_atomic": 0.026793089318721087,
"volume": 149.2922280225852,
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"formula_full": "Ba2 Sn1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-40616",
"created_at": "2022-09-04T14:37:46.769340Z",
"updated_at": "2022-09-04T14:37:46.769362Z",
"structure_string": "Ba2 Sn1 Hg1\n1.0\n0.000000 4.210538 4.210538\n4.210538 0.000000 4.210538\n4.210538 4.210538 -0.000000\nBa Sn Hg\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Sn\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 6.606312899378162,
"density_atomic": 0.02679274569977309,
"volume": 149.29414270646686,
"volume_molar": 22.47675855054677,
"formula_full": "Ba2 Sn1 Hg1",
"formula_reduced": "Ba2SnHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105120",
"created_at": "2022-09-04T14:36:49.970534Z",
"updated_at": "2022-09-04T14:36:49.970563Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n4.989169 -0.000000 2.880498\n1.663056 4.703833 2.880498\n-0.000000 -0.000000 5.760996\nBa Sr Hg\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750001 0.749999 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 7.690132910899444,
"density_atomic": 0.02958573124528992,
"volume": 135.20030878522917,
"volume_molar": 20.35488225750287,
"formula_full": "Ba1 Sr1 Hg2",
"formula_reduced": "BaSrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66626",
"created_at": "2022-09-04T14:36:11.737264Z",
"updated_at": "2022-09-04T14:36:11.737284Z",
"structure_string": "Ba1 Sr1 Hg1\n1.0\n-0.000000 3.956621 3.956621\n3.956621 0.000000 3.956621\n3.956621 3.956621 0.000000\nBa Sr Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 5.704046722198934,
"density_atomic": 0.024216864062045897,
"volume": 123.88061444758975,
"volume_molar": 24.86754992128917,
"formula_full": "Ba1 Sr1 Hg1",
"formula_reduced": "BaSrHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1141437133333333,
"spacegroup": 216
},
{
"id": "jvasp-26767",
"created_at": "2022-09-04T14:38:29.141957Z",
"updated_at": "2022-09-04T14:38:29.141978Z",
"structure_string": "Ba4 Sn4 Hg4 S16\n1.0\n6.693170 0.000000 0.000000\n0.000000 10.876261 0.000000\n0.000000 0.000000 10.979492\nBa Sn Hg S\n4 4 4 16\ndirect\n0.037375 0.000000 0.500000 Ba\n0.537375 0.500000 0.000000 Ba\n0.569645 0.500000 0.500000 Ba\n0.069645 0.000000 0.000000 Ba\n0.537320 0.790305 0.262836 Sn\n0.037320 0.290305 0.237164 Sn\n0.037320 0.709695 0.762836 Sn\n0.537320 0.209695 0.737163 Sn\n0.517729 0.824725 0.694125 Hg\n0.017729 0.324725 0.805875 Hg\n0.517729 0.175275 0.305875 Hg\n0.017729 0.675275 0.194125 Hg\n0.249083 0.274794 0.421319 S\n0.840738 0.903777 0.756276 S\n0.297261 0.951345 0.255983 S\n0.340738 0.403777 0.743724 S\n0.840738 0.096223 0.243724 S\n0.340738 0.596223 0.256276 S\n0.797261 0.548655 0.755983 S\n0.249083 0.725206 0.578680 S\n0.763960 0.233905 0.571010 S\n0.749083 0.774794 0.078681 S\n0.297261 0.048655 0.744017 S\n0.797261 0.451345 0.244017 S\n0.749083 0.225206 0.921319 S\n0.763960 0.766095 0.428990 S\n0.263960 0.733905 0.928990 S\n0.263960 0.266095 0.071010 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Sn",
"Hg",
"S"
],
"chemical_system": "Ba-Hg-S-Sn",
"density": 4.860571477936915,
"density_atomic": 0.035031949653531284,
"volume": 799.2703882290933,
"volume_molar": 17.190424225769455,
"formula_full": "Ba4 Sn4 Hg4 S16",
"formula_reduced": "BaSnHgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.8609046099999997,
"spacegroup": 34
},
{
"id": "jvasp-66034",
"created_at": "2022-09-04T14:35:45.690484Z",
"updated_at": "2022-09-04T14:35:45.690510Z",
"structure_string": "Ba1 Ta1 Hg1\n1.0\n-0.000000 3.835575 3.835575\n3.835575 0.000000 3.835575\n3.835575 3.835575 0.000000\nBa Ta Hg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ta\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 7.6345235650064,
"density_atomic": 0.02658274475614572,
"volume": 112.85516328431147,
"volume_molar": 22.654322626363587,
"formula_full": "Ba1 Ta1 Hg1",
"formula_reduced": "BaTaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 1.97362659,
"spacegroup": 216
},
{
"id": "jvasp-64083",
"created_at": "2022-09-04T14:36:15.986250Z",
"updated_at": "2022-09-04T14:36:15.986277Z",
"structure_string": "Ba4 Ta1 Hg1\n1.0\n0.000000 4.929690 4.929690\n4.929690 -0.000000 4.929690\n4.929690 4.929690 -0.000000\nBa Ta Hg\n4 1 1\ndirect\n0.124462 0.625179 0.625179 Ba\n0.625179 0.625179 0.625179 Ba\n0.625179 0.124462 0.625179 Ba\n0.625179 0.625179 0.124462 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 6.451163562951108,
"density_atomic": 0.025041620244567468,
"volume": 239.6011097285784,
"volume_molar": 24.048526817295077,
"formula_full": "Ba4 Ta1 Hg1",
"formula_reduced": "Ba4TaHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9194962799999996,
"spacegroup": 216
},
{
"id": "jvasp-66104",
"created_at": "2022-09-04T14:35:55.913606Z",
"updated_at": "2022-09-04T14:35:55.913625Z",
"structure_string": "Ba4 Tc1 Hg1\n1.0\n-0.000000 4.798806 4.798806\n4.798806 -0.000000 4.798806\n4.798806 4.798806 0.000000\nBa Tc Hg\n4 1 1\ndirect\n0.123154 0.625616 0.625616 Ba\n0.625616 0.625616 0.625616 Ba\n0.625616 0.123154 0.625616 Ba\n0.625616 0.625616 0.123154 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Hg"
],
"chemical_system": "Ba-Hg-Tc",
"density": 6.37034763982056,
"density_atomic": 0.02714698951316597,
"volume": 221.0189824949124,
"volume_molar": 22.183457053605643,
"formula_full": "Ba4 Tc1 Hg1",
"formula_reduced": "Ba4TcHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6921433299999998,
"spacegroup": 216
},
{
"id": "jvasp-65709",
"created_at": "2022-09-04T14:36:20.935878Z",
"updated_at": "2022-09-04T14:36:20.935905Z",
"structure_string": "Ba2 Hg1 Te1\n1.0\n-0.000000 4.188771 4.188771\n4.188771 0.000000 4.188771\n4.188771 4.188771 -0.000000\nBa Hg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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"elements": [
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"Hg",
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],
"chemical_system": "Ba-Hg-Te",
"density": 6.810267802923037,
"density_atomic": 0.027212606469780885,
"volume": 146.9906972873741,
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"formula_full": "Ba2 Hg1 Te1",
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"energy_above_hull": 0.0,
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},
{
"id": "jvasp-66479",
"created_at": "2022-09-04T14:36:20.961159Z",
"updated_at": "2022-09-04T14:36:20.961184Z",
"structure_string": "Ba1 Ti1 Hg1\n1.0\n0.000000 3.877341 3.877341\n3.877341 -0.000000 3.877341\n3.877341 3.877341 -0.000000\nBa Ti Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ba-Hg-Ti",
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"formula_full": "Ba1 Ti1 Hg1",
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"spacegroup": 216
},
{
"id": "jvasp-66360",
"created_at": "2022-09-04T14:36:18.502313Z",
"updated_at": "2022-09-04T14:36:18.502337Z",
"structure_string": "Ba1 Ti1 Hg1\n1.0\n0.000000 3.877866 3.877866\n3.877866 -0.000000 3.877866\n3.877866 3.877866 0.000000\nBa Ti Hg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Hg"
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"volume": 116.62949345905939,
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"formula_full": "Ba1 Ti1 Hg1",
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}