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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4340",
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{
"id": "jvasp-85195",
"created_at": "2022-09-04T14:37:15.949061Z",
"updated_at": "2022-09-04T14:37:15.949079Z",
"structure_string": "La2 Tl2 Zn2\n1.0\n4.819564 0.000000 0.000000\n-2.409782 4.174235 0.000000\n0.000000 0.000000 7.837700\nLa Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333338 0.666675 0.250000 Tl\n0.666662 0.333326 0.750000 Tl\n0.333334 0.666667 0.750000 Zn\n0.666666 0.333334 0.250000 Zn\n",
"nsites": 6,
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"elements": [
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"Tl",
"Zn"
],
"chemical_system": "La-Tl-Zn",
"density": 8.608115351793986,
"density_atomic": 0.038052041985500565,
"volume": 157.67879164766646,
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"formula_full": "La2 Tl2 Zn2",
"formula_reduced": "LaTlZn",
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{
"id": "jvasp-80202",
"created_at": "2022-09-04T14:37:15.933247Z",
"updated_at": "2022-09-04T14:37:15.933263Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-9.382682 -2.591309 -9.648683\n-5.016922 -2.267782 -1.001709\n-3.400894 2.303035 -3.800751\nK Hg Se\n2 1 1\ndirect\n0.750020 0.000021 0.000021 K\n0.249980 -0.000021 -0.000021 K\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
"K",
"Hg",
"Se"
],
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"density": 4.792150917744422,
"density_atomic": 0.03226754063327859,
"volume": 123.96358450308009,
"volume_molar": 18.663153874792574,
"formula_full": "K2 Hg1 Se1",
"formula_reduced": "K2HgSe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-81754",
"created_at": "2022-09-04T14:37:06.802047Z",
"updated_at": "2022-09-04T14:37:06.802069Z",
"structure_string": "Sr1 Sn1 Hg2\n1.0\n-12.303764 4.651628 0.492498\n-8.555450 1.628418 3.007001\n-7.029139 5.945476 0.363354\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.000001 Sn\n0.746572 0.002586 0.002587 Hg\n0.253427 -0.002586 -0.002585 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Hg-Sn-Sr",
"density": 9.219999227494956,
"density_atomic": 0.036558498246451146,
"volume": 109.41368469336109,
"volume_molar": 16.47261525734195,
"formula_full": "Sr1 Sn1 Hg2",
"formula_reduced": "SrSnHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101520",
"created_at": "2022-09-04T14:37:05.454814Z",
"updated_at": "2022-09-04T14:37:05.454833Z",
"structure_string": "Rb2 Li1 La1 Cl6\n1.0\n6.452386 -0.000000 3.725287\n2.150795 6.083368 3.725287\n-0.000000 -0.000000 7.450573\nRb Li La Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739020 0.260981 0.260980 Cl\n0.260981 0.260981 0.739019 Cl\n0.260981 0.739020 0.739019 Cl\n0.260981 0.739020 0.260980 Cl\n0.739020 0.260981 0.739019 Cl\n0.739020 0.739020 0.260980 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"La",
"Cl"
],
"chemical_system": "Cl-La-Li-Rb",
"density": 3.006498668927583,
"density_atomic": 0.034193684214794226,
"volume": 292.45166847722726,
"volume_molar": 17.611851130667173,
"formula_full": "Rb2 Li1 La1 Cl6",
"formula_reduced": "Rb2LiLaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-11316",
"created_at": "2022-09-04T14:37:15.846769Z",
"updated_at": "2022-09-04T14:37:15.846798Z",
"structure_string": "Mg2 Co2 F8\n1.0\n-4.946119 0.007105 -0.015754\n-0.007426 -4.946143 -0.021950\n2.459408 2.445451 5.449681\nMg Co F\n2 2 8\ndirect\n0.719294 0.717639 0.433597 Mg\n0.287155 0.285507 0.569330 Mg\n-0.031807 0.466539 0.931372 Co\n0.538271 0.036603 0.071526 Co\n0.636946 0.578693 0.658002 F\n0.826415 0.772267 0.167858 F\n0.346448 0.397280 0.167851 F\n0.426050 0.978737 0.344877 F\n0.026036 0.081001 0.657994 F\n0.232470 0.658408 0.835029 F\n0.607545 0.178345 0.835038 F\n0.923826 0.367815 0.344872 F\n",
"nsites": 12,
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"elements": [
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"Co",
"F"
],
"chemical_system": "Co-F-Mg",
"density": 3.9801336990599103,
"density_atomic": 0.09031710078082054,
"volume": 132.8652037793078,
"volume_molar": 6.667774660542296,
"formula_full": "Mg2 Co2 F8",
"formula_reduced": "MgCoF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 82
},
{
"id": "jvasp-76760",
"created_at": "2022-09-04T14:37:15.833774Z",
"updated_at": "2022-09-04T14:37:15.833799Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-7.376140 -4.360764 -11.379716\n-4.650971 -3.006408 -1.777161\n-2.971597 1.743578 -4.685924\nRb Hg Se\n2 1 1\ndirect\n0.749969 0.000076 0.000078 Rb\n0.250032 -0.000077 -0.000077 Rb\n0.500000 -0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Hg-Rb-Se",
"density": 5.374431156922658,
"density_atomic": 0.028738393363164326,
"volume": 139.18662569101838,
"volume_molar": 20.955036295518624,
"formula_full": "Rb2 Hg1 Se1",
"formula_reduced": "Rb2HgSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-80697",
"created_at": "2022-09-04T14:37:16.015932Z",
"updated_at": "2022-09-04T14:37:16.015940Z",
"structure_string": "K2 Na1 Hg1\n1.0\n-14.365176 3.899026 -1.926175\n-10.371199 1.014902 1.786810\n-8.605109 6.009253 -1.272015\nK Na Hg\n2 1 1\ndirect\n0.749349 0.000334 0.000334 K\n0.250652 -0.000335 -0.000334 K\n0.000000 -0.000000 -0.000000 Na\n0.500000 -0.000000 0.000001 Hg\n",
"nsites": 4,
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"elements": [
"K",
"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 3.0439480442970717,
"density_atomic": 0.02429757325128424,
"volume": 164.62549402083113,
"volume_molar": 24.784947441949583,
"formula_full": "K2 Na1 Hg1",
"formula_reduced": "K2NaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-34458",
"created_at": "2022-09-04T14:37:16.007207Z",
"updated_at": "2022-09-04T14:37:16.007234Z",
"structure_string": "Cu4 Hg4 S4 Br4\n1.0\n4.099026 0.000000 0.000000\n0.000000 9.466352 -0.000000\n0.000000 -0.000000 10.105669\nCu Hg S Br\n4 4 4 4\ndirect\n0.000000 0.202209 0.075239 Cu\n0.000000 0.202209 0.424761 Cu\n0.000000 0.797790 0.575239 Cu\n0.000000 0.797790 0.924762 Cu\n0.500000 0.775198 0.250000 Hg\n0.500000 0.224801 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.243206 0.990430 S\n0.500000 0.243206 0.509570 S\n0.500000 0.756794 0.009570 S\n0.500000 0.756794 0.490430 S\n0.000000 0.550183 0.750000 Br\n0.000000 0.449817 0.250000 Br\n0.000000 0.976729 0.750000 Br\n0.000000 0.023271 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"Br"
],
"chemical_system": "Br-Cu-Hg-S",
"density": 6.370738869160806,
"density_atomic": 0.04080295261009333,
"volume": 392.12848523227007,
"volume_molar": 14.759080837964449,
"formula_full": "Cu4 Hg4 S4 Br4",
"formula_reduced": "CuHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-103192",
"created_at": "2022-09-04T14:37:15.910135Z",
"updated_at": "2022-09-04T14:37:15.910162Z",
"structure_string": "Na3 Tl1 I6\n1.0\n7.370742 0.000000 4.255500\n2.456914 6.949203 4.255500\n0.000000 0.000000 8.511000\nNa Tl I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.751937 0.248062 0.248063 I\n0.248062 0.248062 0.751938 I\n0.248062 0.751937 0.751938 I\n0.248062 0.751937 0.248063 I\n0.751937 0.248062 0.751938 I\n0.751937 0.751937 0.248063 I\n",
"nsites": 10,
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"elements": [
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"Tl",
"I"
],
"chemical_system": "I-Na-Tl",
"density": 3.941577632719215,
"density_atomic": 0.022938932385284945,
"volume": 435.94007916492586,
"volume_molar": 26.25292519656727,
"formula_full": "Na3 Tl1 I6",
"formula_reduced": "Na3TlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79346",
"created_at": "2022-09-04T14:37:15.780792Z",
"updated_at": "2022-09-04T14:37:15.780802Z",
"structure_string": "Ca1 Ce1 Hg2\n1.0\n-0.000690 3.774451 3.773991\n3.774139 -0.000373 3.773674\n3.774172 3.774168 -0.000406\nCa Ce Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250001 Ca\n0.750000 0.749999 0.750001 Ce\n1.000007 0.000000 1.000000 Hg\n0.499993 0.499998 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Ce",
"Hg"
],
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"density": 8.977393814427135,
"density_atomic": 0.03719679877470722,
"volume": 107.53613568272677,
"volume_molar": 16.18994364669598,
"formula_full": "Ca1 Ce1 Hg2",
"formula_reduced": "CaCeHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-14505",
"created_at": "2022-09-04T14:37:27.827430Z",
"updated_at": "2022-09-04T14:37:27.827460Z",
"structure_string": "Tb2 Zn4\n1.0\n4.107395 -0.000000 1.769730\n1.923730 5.184505 1.186509\n-0.001909 0.009400 5.655753\nTb Zn\n2 4\ndirect\n0.526532 0.723468 0.223467 Tb\n0.473466 0.276533 0.776533 Tb\n0.833988 0.706010 0.626012 Zn\n0.166010 0.293991 0.373988 Zn\n0.833988 0.126012 0.206010 Zn\n0.166010 0.873989 0.793990 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Tb-Zn",
"density": 7.989415372028482,
"density_atomic": 0.04981655383333931,
"volume": 120.4418920681051,
"volume_molar": 12.088633790580941,
"formula_full": "Tb2 Zn4",
"formula_reduced": "TbZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-38696",
"created_at": "2022-09-04T14:37:27.841029Z",
"updated_at": "2022-09-04T14:37:27.841052Z",
"structure_string": "Na1 Sr1 Hg2\n1.0\n0.000000 3.843723 3.843723\n3.843723 -0.000000 3.843723\n3.843723 3.843723 0.000000\nNa Sr Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.749998 0.749998 0.749998 Sr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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],
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"density": 7.482633164485951,
"density_atomic": 0.03521873463859555,
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"formula_full": "Na1 Sr1 Hg2",
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"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}