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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4482",
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"results": [
{
"id": "jvasp-101074",
"created_at": "2022-09-04T14:36:41.902561Z",
"updated_at": "2022-09-04T14:36:41.902580Z",
"structure_string": "Zn1 Cd1 Te2\n1.0\n4.328544 0.010095 6.552393\n1.976364 3.851023 6.552393\n0.016484 0.010095 7.853017\nZn Cd Te\n1 1 2\ndirect\n0.499402 0.499401 0.499405 Zn\n0.001599 0.001599 0.001599 Cd\n0.129512 0.129512 0.129513 Te\n0.619485 0.619483 0.619487 Te\n",
"nsites": 4,
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"elements": [
"Zn",
"Cd",
"Te"
],
"chemical_system": "Cd-Te-Zn",
"density": 5.523592493077816,
"density_atomic": 0.030727311907707923,
"volume": 130.17734880338176,
"volume_molar": 19.598657956439563,
"formula_full": "Zn1 Cd1 Te2",
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"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-102271",
"created_at": "2022-09-04T14:36:45.939623Z",
"updated_at": "2022-09-04T14:36:45.939642Z",
"structure_string": "Rb3 Bi1 Cl6\n1.0\n7.009034 -0.000000 4.046668\n2.336345 6.608181 4.046668\n-0.000000 -0.000000 8.093336\nRb Bi Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Bi\n0.763996 0.236003 0.236004 Cl\n0.236003 0.236003 0.763998 Cl\n0.236002 0.763997 0.763998 Cl\n0.236002 0.763997 0.236004 Cl\n0.763996 0.236003 0.763998 Cl\n0.763996 0.763997 0.236004 Cl\n",
"nsites": 10,
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"elements": [
"Rb",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Rb",
"density": 3.003836756617023,
"density_atomic": 0.02667671398993622,
"volume": 374.8587627311406,
"volume_molar": 22.57452234286371,
"formula_full": "Rb3 Bi1 Cl6",
"formula_reduced": "Rb3BiCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-79107",
"created_at": "2022-09-04T14:36:43.433499Z",
"updated_at": "2022-09-04T14:36:43.433516Z",
"structure_string": "Tm1 Lu1 Zn2\n1.0\n0.000029 3.484649 3.484682\n3.484805 0.000017 3.484694\n3.484815 3.484670 0.000008\nTm Lu Zn\n1 1 2\ndirect\n0.749999 0.749998 0.749999 Tm\n0.249993 0.250016 0.249997 Lu\n0.500001 0.499995 0.500005 Zn\n0.000005 0.999993 0.000006 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Lu",
"Zn"
],
"chemical_system": "Lu-Tm-Zn",
"density": 9.314422231321778,
"density_atomic": 0.047263949393981756,
"volume": 84.631099416955,
"volume_molar": 12.741509834061421,
"formula_full": "Tm1 Lu1 Zn2",
"formula_reduced": "TmLuZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100205",
"created_at": "2022-09-04T14:36:59.286754Z",
"updated_at": "2022-09-04T14:36:59.286777Z",
"structure_string": "Mg5 Pd1\n1.0\n5.308754 -0.000000 0.000000\n-2.654376 4.597515 0.000000\n-0.000000 -0.000000 4.814703\nMg Pd\n5 1\ndirect\n0.314502 0.000000 0.500000 Mg\n0.685498 0.685499 0.500000 Mg\n-0.000000 0.314502 0.500000 Mg\n0.333333 0.666668 0.000000 Mg\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 3.221023618540488,
"density_atomic": 0.051058257813521794,
"volume": 117.51282274286719,
"volume_molar": 11.79464599437459,
"formula_full": "Mg5 Pd1",
"formula_reduced": "Mg5Pd",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-105474",
"created_at": "2022-09-04T14:36:59.233697Z",
"updated_at": "2022-09-04T14:36:59.233720Z",
"structure_string": "K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.4416998998294592,
"density_atomic": 0.03038798657432852,
"volume": 131.63096509260544,
"volume_molar": 19.81750500405791,
"formula_full": "K2 Br1 Cl1",
"formula_reduced": "K2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-102432",
"created_at": "2022-09-04T14:36:52.145107Z",
"updated_at": "2022-09-04T14:36:52.145125Z",
"structure_string": "K4 Zn2 S4\n1.0\n6.053201 0.008312 -4.881208\n-1.153227 5.567025 -5.305263\n-0.035267 -0.008312 7.776001\nK Zn S\n4 2 4\ndirect\n0.812172 0.645747 0.166425 K\n0.187826 0.354252 0.833574 K\n0.479321 0.145747 0.333574 K\n0.520677 0.854252 0.666425 K\n-0.000001 0.750000 0.749999 Zn\n-0.000000 0.250000 0.250000 Zn\n0.704721 0.396261 0.308460 S\n0.295277 0.603738 0.691539 S\n0.087800 0.896261 0.191539 S\n0.912199 0.103739 0.808460 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Zn",
"S"
],
"chemical_system": "K-S-Zn",
"density": 2.6449175753006653,
"density_atomic": 0.038337352727608805,
"volume": 260.842214929422,
"volume_molar": 15.708285344551529,
"formula_full": "K4 Zn2 S4",
"formula_reduced": "K2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-22613",
"created_at": "2022-09-04T14:36:40.306425Z",
"updated_at": "2022-09-04T14:36:40.306444Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.636090 0.062565 3.241271\n1.722097 4.304837 3.241271\n0.091083 0.062564 5.656047\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Pb\n0.383607 0.014168 0.820243 F\n0.014170 0.820242 0.383607 F\n0.179758 0.616392 0.985832 F\n0.985832 0.179756 0.616394 F\n0.616394 0.985831 0.179758 F\n0.820243 0.383606 0.014170 F\n",
"nsites": 8,
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"elements": [
"Ni",
"Pb",
"F"
],
"chemical_system": "F-Ni-Pb",
"density": 5.712404145008277,
"density_atomic": 0.07244510055433395,
"volume": 110.42844773194822,
"volume_molar": 8.312695701876187,
"formula_full": "Ni1 Pb1 F6",
"formula_reduced": "NiPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-102946",
"created_at": "2022-09-04T14:36:40.305603Z",
"updated_at": "2022-09-04T14:36:40.305623Z",
"structure_string": "K3 Ge1\n1.0\n5.164507 0.000000 2.981729\n1.721502 4.869144 2.981729\n0.000000 0.000000 5.963458\nK Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ge"
],
"chemical_system": "Ge-K",
"density": 2.10316921430107,
"density_atomic": 0.026673520358810526,
"volume": 149.9614578875323,
"volume_molar": 22.577225199338294,
"formula_full": "K3 Ge1",
"formula_reduced": "K3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107107",
"created_at": "2022-09-04T14:36:59.216320Z",
"updated_at": "2022-09-04T14:36:59.216339Z",
"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Sb",
"Cl"
],
"chemical_system": "Cl-K-Li-Sb",
"density": 2.5698573194147922,
"density_atomic": 0.03688147560762838,
"volume": 271.1388260704962,
"volume_molar": 16.328361760976858,
"formula_full": "K2 Li1 Sb1 Cl6",
"formula_reduced": "K2LiSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100613",
"created_at": "2022-09-04T14:36:52.131311Z",
"updated_at": "2022-09-04T14:36:52.131337Z",
"structure_string": "Pm1 Nd1 Hg2\n1.0\n4.654093 0.000000 2.687042\n1.551364 4.387921 2.687042\n0.000000 0.000000 5.374084\nPm Nd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Hg\n0.749999 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
"Pm",
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd-Pm",
"density": 10.446370175388676,
"density_atomic": 0.03644699134673963,
"volume": 109.74842784541173,
"volume_molar": 16.523012016844326,
"formula_full": "Pm1 Nd1 Hg2",
"formula_reduced": "PmNdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107236",
"created_at": "2022-09-04T14:36:52.883806Z",
"updated_at": "2022-09-04T14:36:52.883829Z",
"structure_string": "Yb2 Ag1 Au1\n1.0\n4.362763 -0.000000 2.518843\n1.454254 4.113253 2.518843\n-0.000000 -0.000000 5.037685\nYb Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.749999 0.750000 0.750001 Yb\n0.499999 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Ag",
"Au"
],
"chemical_system": "Ag-Au-Yb",
"density": 11.956255042675313,
"density_atomic": 0.04424680728320238,
"volume": 90.4020028925011,
"volume_molar": 13.61033966011422,
"formula_full": "Yb2 Ag1 Au1",
"formula_reduced": "Yb2AgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99741",
"created_at": "2022-09-04T14:36:44.057191Z",
"updated_at": "2022-09-04T14:36:44.057210Z",
"structure_string": "Rb2 Pd1\n1.0\n4.979376 0.010823 2.757701\n1.714183 4.675027 2.757701\n0.100951 0.070671 5.689986\nRb Pd\n2 1\ndirect\n0.250073 0.250073 0.249971 Rb\n0.749927 0.749927 0.750030 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Pd-Rb",
"density": 3.5314892954985555,
"density_atomic": 0.02300345726274321,
"volume": 130.41517915043366,
"volume_molar": 26.17928553615096,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 225
}
]
}