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{
"id": "jvasp-69228",
"created_at": "2022-09-04T14:36:20.871346Z",
"updated_at": "2022-09-04T14:36:20.871362Z",
"structure_string": "Ba1 Hg1 Pt2\n1.0\n4.629386 0.000000 0.000000\n0.000000 4.629386 0.000000\n0.000000 -0.000000 4.307801\nBa Hg Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
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"volume": 92.32140827524611,
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{
"id": "jvasp-65461",
"created_at": "2022-09-04T14:36:16.045573Z",
"updated_at": "2022-09-04T14:36:16.045584Z",
"structure_string": "Ba1 Hg1 Pd2\n1.0\n3.325465 -3.326476 0.000000\n3.325465 3.326476 0.000000\n0.000000 0.000000 4.197291\nBa Hg Pd\n1 1 2\ndirect\n0.500001 0.000000 0.500000 Ba\n0.000000 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n",
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"volume": 92.86153354846356,
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"formula_full": "Ba1 Hg1 Pd2",
"formula_reduced": "BaHgPd2",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-66216",
"created_at": "2022-09-04T14:35:58.734682Z",
"updated_at": "2022-09-04T14:35:58.734710Z",
"structure_string": "Ba1 Hg1 Pb1\n1.0\n0.000000 3.957428 3.957428\n3.957428 0.000000 3.957428\n3.957428 3.957428 0.000000\nBa Hg Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ba-Hg-Pb",
"density": 7.302469660652681,
"density_atomic": 0.024202052150608337,
"volume": 123.95643069154335,
"volume_molar": 24.882769124388606,
"formula_full": "Ba1 Hg1 Pb1",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1933234244444444,
"spacegroup": 216
},
{
"id": "jvasp-39996",
"created_at": "2022-09-04T14:37:38.009633Z",
"updated_at": "2022-09-04T14:37:38.009655Z",
"structure_string": "Ba2 Hg1 Pb1\n1.0\n-0.000000 4.230534 4.230534\n4.230534 0.000000 4.230534\n4.230534 4.230534 0.000000\nBa Hg Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Hg\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
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"density": 7.483427445992625,
"density_atomic": 0.026414623595541215,
"volume": 151.43127008916377,
"volume_molar": 22.79851059856305,
"formula_full": "Ba2 Hg1 Pb1",
"formula_reduced": "Ba2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69037",
"created_at": "2022-09-04T14:36:13.853545Z",
"updated_at": "2022-09-04T14:36:13.853563Z",
"structure_string": "Ba2 Hg1 Pb1\n1.0\n-0.000000 4.231264 4.231264\n4.231264 -0.000000 4.231264\n4.231264 4.231264 -0.000000\nBa Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 7.479554872973485,
"density_atomic": 0.02640095438322038,
"volume": 151.5096743071635,
"volume_molar": 22.81031462948735,
"formula_full": "Ba2 Hg1 Pb1",
"formula_reduced": "Ba2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.000000000000005e-05,
"spacegroup": 225
},
{
"id": "jvasp-99559",
"created_at": "2022-09-04T14:36:55.855550Z",
"updated_at": "2022-09-04T14:36:55.855572Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n5.170268 0.045947 4.223760\n2.367287 4.596709 4.223760\n-0.025720 -0.015842 8.518529\nBa Hg Pb\n2 2 2\ndirect\n0.457849 0.457849 0.298783 Ba\n0.542152 0.542152 0.701216 Ba\n0.836886 0.836886 0.701546 Hg\n0.163115 0.163115 0.298454 Hg\n0.162090 0.162090 0.909761 Pb\n0.837910 0.837911 0.090239 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 8.953013411427753,
"density_atomic": 0.029672331082181282,
"volume": 202.2085822439174,
"volume_molar": 20.29547575254846,
"formula_full": "Ba2 Hg2 Pb2",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0422267577777777,
"spacegroup": 12
},
{
"id": "jvasp-64240",
"created_at": "2022-09-04T14:35:41.636316Z",
"updated_at": "2022-09-04T14:35:41.636340Z",
"structure_string": "Ba4 Hg1 Pb1\n1.0\n-0.000000 5.040771 5.040771\n5.040771 0.000000 5.040771\n5.040771 5.040771 0.000000\nBa Hg Pb\n4 1 1\ndirect\n0.122522 0.625826 0.625826 Ba\n0.625826 0.625826 0.625826 Ba\n0.625826 0.122522 0.625826 Ba\n0.625826 0.625826 0.122522 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Hg-Pb",
"density": 6.20418309840825,
"density_atomic": 0.02342234375100925,
"volume": 256.16565377841255,
"volume_molar": 25.711093748850438,
"formula_full": "Ba4 Hg1 Pb1",
"formula_reduced": "Ba4HgPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0064719899999999,
"spacegroup": 216
},
{
"id": "jvasp-41014",
"created_at": "2022-09-04T14:37:33.737748Z",
"updated_at": "2022-09-04T14:37:33.737770Z",
"structure_string": "Ba1 Hg2 Pb1\n1.0\n0.000000 3.952445 3.952445\n3.952445 -0.000000 3.952445\n3.952445 3.952445 -0.000000\nBa Hg Pb\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n0.749999 0.749999 0.749999 Pb\n",
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"elements": [
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"Hg",
"Pb"
],
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"density": 10.0274340866621,
"density_atomic": 0.032391606651067786,
"volume": 123.48878038342504,
"volume_molar": 18.591670443742807,
"formula_full": "Ba1 Hg2 Pb1",
"formula_reduced": "BaHg2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64128",
"created_at": "2022-09-04T14:36:16.107718Z",
"updated_at": "2022-09-04T14:36:16.107750Z",
"structure_string": "Ba4 Hg1 P1\n1.0\n-0.000000 4.901416 4.901416\n4.901416 -0.000000 4.901416\n4.901416 4.901416 0.000000\nBa Hg P\n4 1 1\ndirect\n0.120661 0.626447 0.626447 Ba\n0.626447 0.626447 0.626447 Ba\n0.626447 0.120661 0.626447 Ba\n0.626447 0.626447 0.120661 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"P"
],
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"density": 5.505973635004239,
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"volume": 235.50204791432472,
"volume_molar": 23.6371080301388,
"formula_full": "Ba4 Hg1 P1",
"formula_reduced": "Ba4HgP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.11359733,
"spacegroup": 216
},
{
"id": "jvasp-100773",
"created_at": "2022-09-04T14:37:11.096480Z",
"updated_at": "2022-09-04T14:37:11.096507Z",
"structure_string": "Ba2 U1 Hg1 O6\n1.0\n5.392953 -0.000000 3.113623\n1.797651 5.084525 3.113623\n-0.000000 -0.000000 6.227245\nBa U Hg O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Hg\n0.735919 0.264081 0.264081 O\n0.264081 0.735919 0.735920 O\n0.264081 0.735919 0.264081 O\n0.735919 0.264081 0.735920 O\n0.264081 0.264081 0.735920 O\n0.735919 0.735919 0.264081 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 7.869899625855996,
"density_atomic": 0.05856350011636345,
"volume": 170.7548213499941,
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"formula_full": "Ba2 U1 Hg1 O6",
"formula_reduced": "Ba2UHgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.919466354,
"spacegroup": 225
},
{
"id": "jvasp-66492",
"created_at": "2022-09-04T14:35:51.119348Z",
"updated_at": "2022-09-04T14:35:51.119374Z",
"structure_string": "Ba4 Hg1 Os1\n1.0\n0.000000 4.746516 4.746516\n4.746516 -0.000000 4.746516\n4.746516 4.746516 -0.000000\nBa Hg Os\n4 1 1\ndirect\n0.122454 0.625849 0.625849 Ba\n0.625849 0.625849 0.625849 Ba\n0.625849 0.122454 0.625849 Ba\n0.625849 0.625849 0.122454 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
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"elements": [
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"density": 7.299300477024239,
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"volume": 213.8724493557166,
"volume_molar": 21.466166578434947,
"formula_full": "Ba4 Hg1 Os1",
"formula_reduced": "Ba4HgOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7825739133333334,
"spacegroup": 216
},
{
"id": "jvasp-1456",
"created_at": "2022-09-04T14:36:34.707508Z",
"updated_at": "2022-09-04T14:36:34.707543Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n3.966343 0.006134 5.737822\n1.794638 3.537116 5.737822\n0.009974 0.006134 6.975270\nBa Hg O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898601 0.898601 0.898603 O\n0.101398 0.101398 0.101398 O\n",
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"elements": [
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"volume": 97.50366404315226,
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"formula_full": "Ba1 Hg1 O2",
"formula_reduced": "BaHgO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
}
]
}