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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3822",
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"results": [
{
"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",
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"elements": [
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"volume": 239.6011097285784,
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{
"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,
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"elements": [
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"Ta",
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],
"chemical_system": "Ba-Hg-Ta",
"density": 7.6345235650064,
"density_atomic": 0.02658274475614572,
"volume": 112.85516328431147,
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"formula_full": "Ba1 Ta1 Hg1",
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"formula_anonymous": "ABC",
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{
"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-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-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-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",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 6.606397625830391,
"density_atomic": 0.026793089318721087,
"volume": 149.2922280225852,
"volume_molar": 22.476470288150608,
"formula_full": "Ba2 Sn1 Hg1",
"formula_reduced": "Ba2SnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66470",
"created_at": "2022-09-04T14:36:06.092897Z",
"updated_at": "2022-09-04T14:36:06.092915Z",
"structure_string": "Ba1 Sn1 Hg1\n1.0\n0.000000 3.939999 3.939999\n3.939999 0.000000 3.939999\n3.939999 3.939999 0.000000\nBa Sn Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 6.198582051768939,
"density_atomic": 0.02452465599344466,
"volume": 122.32587485842362,
"volume_molar": 24.555454566252404,
"formula_full": "Ba1 Sn1 Hg1",
"formula_reduced": "BaSnHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1721066666666666,
"spacegroup": 216
},
{
"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": [
"Ba",
"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 7.369519627530431,
"density_atomic": 0.029157464109157743,
"volume": 205.7792124012433,
"volume_molar": 20.65385637603708,
"formula_full": "Ba2 Sn2 Hg2",
"formula_reduced": "BaSnHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-64381",
"created_at": "2022-09-04T14:35:53.359989Z",
"updated_at": "2022-09-04T14:35:53.360017Z",
"structure_string": "Ba4 Sn1 Hg1\n1.0\n-0.000000 5.014989 5.014989\n5.014989 0.000000 5.014989\n5.014989 5.014989 -0.000000\nBa Sn Hg\n4 1 1\ndirect\n0.122177 0.625941 0.625941 Ba\n0.625941 0.625941 0.625941 Ba\n0.625941 0.122177 0.625941 Ba\n0.625941 0.625941 0.122177 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 5.717852822942416,
"density_atomic": 0.02378544606309553,
"volume": 252.25509683879088,
"volume_molar": 25.31859500984383,
"formula_full": "Ba4 Sn1 Hg1",
"formula_reduced": "Ba4SnHg",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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,
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"formula_full": "Ba2 Sn1 Hg1",
"formula_reduced": "Ba2SnHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-64555",
"created_at": "2022-09-04T14:36:02.787944Z",
"updated_at": "2022-09-04T14:36:02.787975Z",
"structure_string": "Ba4 Si1 Hg1\n1.0\n-0.000000 4.940444 4.940444\n4.940444 0.000000 4.940444\n4.940444 4.940444 -0.000000\nBa Si Hg\n4 1 1\ndirect\n0.121965 0.626011 0.626011 Ba\n0.626011 0.626011 0.626011 Ba\n0.626011 0.121965 0.626011 Ba\n0.626011 0.626011 0.121965 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
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"elements": [
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"Si",
"Hg"
],
"chemical_system": "Ba-Hg-Si",
"density": 5.356628717728247,
"density_atomic": 0.02487844959310753,
"volume": 241.17258503368615,
"volume_molar": 24.20625424209879,
"formula_full": "Ba4 Si1 Hg1",
"formula_reduced": "Ba4SiHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1620095133333332,
"spacegroup": 216
},
{
"id": "jvasp-69184",
"created_at": "2022-09-04T14:35:41.146675Z",
"updated_at": "2022-09-04T14:35:41.146696Z",
"structure_string": "Ba1 Hg1 Se4\n1.0\n-0.000000 4.280252 4.280252\n4.280252 0.000000 4.280252\n4.280252 4.280252 0.000000\nBa Hg Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hg\n0.122856 0.625714 0.625714 Se\n0.625714 0.625714 0.625714 Se\n0.625714 0.122856 0.625714 Se\n0.625714 0.625714 0.122856 Se\n",
"nsites": 6,
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],
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"density_atomic": 0.03825720500030446,
"volume": 156.83320305161473,
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"formula_full": "Ba1 Hg1 Se4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
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}