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{
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"results": [
{
"id": "jvasp-69111",
"created_at": "2022-09-04T14:36:12.474186Z",
"updated_at": "2022-09-04T14:36:12.474206Z",
"structure_string": "Ba2 Pb1 Br1\n1.0\n-0.000000 4.240894 4.240894\n4.240894 -0.000000 4.240894\n4.240894 4.240894 -0.000000\nBa Pb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"volume": 152.54650018039285,
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"formula_full": "Ba2 Pb1 Br1",
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{
"id": "jvasp-90282",
"created_at": "2022-09-04T14:35:42.920353Z",
"updated_at": "2022-09-04T14:35:42.920377Z",
"structure_string": "Pr3 Cd3 Ga3\n1.0\n0.000000 0.000000 -4.489187\n-3.742205 -6.481689 0.000000\n-3.742212 6.481693 0.000000\nPr Cd Ga\n3 3 3\ndirect\n0.500000 0.582798 -0.000000 Pr\n0.500000 0.417180 0.417192 Pr\n0.500000 0.999987 0.582807 Pr\n0.000000 0.248567 -0.000000 Cd\n0.000000 0.751411 0.751419 Cd\n0.000000 -0.000010 0.248580 Cd\n0.000000 0.333321 0.666667 Ga\n0.000000 0.666654 0.333331 Ga\n0.500000 -0.000010 0.000000 Ga\n",
"nsites": 9,
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"elements": [
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"density": 7.389496975385441,
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"volume": 217.77799561354186,
"volume_molar": 14.572108266837908,
"formula_full": "Pr3 Cd3 Ga3",
"formula_reduced": "PrCdGa",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-105605",
"created_at": "2022-09-04T14:36:32.587671Z",
"updated_at": "2022-09-04T14:36:32.587696Z",
"structure_string": "K2 Pr1 Cu1 Cl6\n1.0\n6.407125 0.000000 3.699156\n2.135708 6.040696 3.699156\n-0.000000 -0.000000 7.398310\nK Pr Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.750000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.239433 0.239433 0.760567 Cl\n0.239433 0.760568 0.760568 Cl\n0.760568 0.760568 0.239433 Cl\n0.239433 0.760568 0.239433 Cl\n0.760568 0.239433 0.760568 Cl\n0.760568 0.239433 0.239433 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pr",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Pr",
"density": 2.872728367027059,
"density_atomic": 0.03492346269156409,
"volume": 286.34044935113326,
"volume_molar": 17.24382491274175,
"formula_full": "K2 Pr1 Cu1 Cl6",
"formula_reduced": "K2PrCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 2.7711200504568447,
"density_atomic": 0.04475786914282976,
"volume": 178.7395189541012,
"volume_molar": 13.454931781453567,
"formula_full": "Y1 Mg6 Cu1",
"formula_reduced": "YMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-14591",
"created_at": "2022-09-04T14:36:07.574497Z",
"updated_at": "2022-09-04T14:36:07.574522Z",
"structure_string": "Sb2\n1.0\n3.862705 0.008824 2.527338\n1.371145 3.611168 2.527338\n0.012757 0.008824 4.616033\nSb\n2\ndirect\n0.267192 0.267192 0.267192 Sb\n0.732809 0.732807 0.732808 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Sb",
"density": 6.3025045962693635,
"density_atomic": 0.03117162436957734,
"volume": 64.16091687387154,
"volume_molar": 19.319303635255682,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-71218",
"created_at": "2022-09-04T14:36:05.583542Z",
"updated_at": "2022-09-04T14:36:05.583569Z",
"structure_string": "Be1 Cd1 Cl2\n1.0\n3.143368 -0.000000 0.000000\n-0.000000 3.143368 0.000000\n0.000000 0.000000 7.714746\nBe Cd Cl\n1 1 2\ndirect\n0.000000 0.000000 0.456913 Be\n0.500000 0.500000 0.746982 Cd\n0.000000 0.000000 0.971971 Cl\n0.500000 0.500000 0.324136 Cl\n",
"nsites": 4,
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"elements": [
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"Cd",
"Cl"
],
"chemical_system": "Be-Cd-Cl",
"density": 4.18969293743492,
"density_atomic": 0.0524744510567933,
"volume": 76.22757207447077,
"volume_molar": 11.476329220637705,
"formula_full": "Be1 Cd1 Cl2",
"formula_reduced": "BeCdCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-105863",
"created_at": "2022-09-04T14:35:59.937664Z",
"updated_at": "2022-09-04T14:35:59.937691Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n4.752680 0.000000 2.743961\n1.584227 4.480869 2.743961\n0.000000 0.000000 5.487921\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Ce\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"Ce",
"Hg"
],
"chemical_system": "Ce-Hg-Sr",
"density": 8.935792362839145,
"density_atomic": 0.03422561959291658,
"volume": 116.87151460153113,
"volume_molar": 17.595417794120397,
"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69215",
"created_at": "2022-09-04T14:35:57.237207Z",
"updated_at": "2022-09-04T14:35:57.237227Z",
"structure_string": "Ba2 In1 Pb1\n1.0\n0.000000 4.266678 4.266678\n4.266678 0.000000 4.266678\n4.266678 4.266678 0.000000\nBa In Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 6.37800939213785,
"density_atomic": 0.025749001355069176,
"volume": 155.34583049810297,
"volume_molar": 23.38786144346692,
"formula_full": "Ba2 In1 Pb1",
"formula_reduced": "Ba2InPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99381",
"created_at": "2022-09-04T14:36:14.431412Z",
"updated_at": "2022-09-04T14:36:14.431451Z",
"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
"nsites": 10,
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"elements": [
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"Nd",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Nd-Rb",
"density": 4.131505784545889,
"density_atomic": 0.027569354003743673,
"volume": 362.7215929195181,
"volume_molar": 21.843604892527573,
"formula_full": "Rb2 Nd1 Ag1 Br6",
"formula_reduced": "Rb2NdAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64882",
"created_at": "2022-09-04T14:36:04.203851Z",
"updated_at": "2022-09-04T14:36:04.203872Z",
"structure_string": "Be1 Cd4 Ga1\n1.0\n-0.000000 4.049537 4.049537\n4.049537 -0.000000 4.049537\n4.049537 4.049537 0.000000\nBe Cd Ga\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625241 0.124279 0.625241 Cd\n0.124279 0.625241 0.625241 Cd\n0.625241 0.625241 0.625241 Cd\n0.625241 0.625241 0.124279 Cd\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
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"elements": [
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"Cd",
"Ga"
],
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"density": 6.6061538815677805,
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"volume": 132.8146890639682,
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"formula_full": "Be1 Cd4 Ga1",
"formula_reduced": "BeCd4Ga",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-1345",
"created_at": "2022-09-04T14:35:47.816138Z",
"updated_at": "2022-09-04T14:35:47.816162Z",
"structure_string": "Yb1 Te1\n1.0\n3.860649 0.000000 2.228946\n1.286883 3.639854 2.228946\n0.000000 0.000000 4.457893\nYb Te\n1 1\ndirect\n0.500000 0.499999 0.500001 Yb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.9693323295574094,
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"volume": 62.64319824272521,
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"formula_full": "Yb1 Te1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-79088",
"created_at": "2022-09-04T14:37:11.766132Z",
"updated_at": "2022-09-04T14:37:11.766156Z",
"structure_string": "Tb1 Ag1 Hg2\n1.0\n0.000000 3.537806 3.537806\n3.537806 0.000000 3.537806\n3.537806 3.537806 0.000000\nTb Ag Hg\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Tb\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 12.524959356391644,
"density_atomic": 0.04516769760331707,
"volume": 88.5588642381064,
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"formula_full": "Tb1 Ag1 Hg2",
"formula_reduced": "TbAgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}