HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=276",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=274",
"results": [
{
"id": "jvasp-56869",
"created_at": "2022-09-04T14:38:34.483382Z",
"updated_at": "2022-09-04T14:38:34.483398Z",
"structure_string": "Y7 Fe1 I12\n1.0\n9.140714 -0.007933 -2.798643\n-3.781633 8.321776 -2.798644\n-0.005114 -0.007933 9.559552\nY Fe I\n7 1 12\ndirect\n0.025894 0.095377 0.295828 Y\n0.095377 0.295828 0.025894 Y\n0.500000 0.500001 0.500001 Y\n0.704173 0.974107 0.904624 Y\n0.974107 0.904625 0.704173 Y\n0.295828 0.025894 0.095377 Y\n0.904624 0.704173 0.974107 Y\n0.000000 0.000000 0.000000 Fe\n0.074403 0.231627 0.679144 I\n0.231627 0.679144 0.074403 I\n0.470322 0.390198 0.155877 I\n0.390198 0.155877 0.470322 I\n0.925598 0.768374 0.320857 I\n0.844124 0.529679 0.609803 I\n0.320857 0.925598 0.768374 I\n0.155877 0.470322 0.390198 I\n0.609803 0.844125 0.529679 I\n0.768374 0.320857 0.925598 I\n0.679144 0.074403 0.231627 I\n0.529679 0.609803 0.844124 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Fe",
"I"
],
"chemical_system": "Fe-I-Y",
"density": 5.031034492470746,
"density_atomic": 0.027530261636542562,
"volume": 726.473299238566,
"volume_molar": 21.87462233198123,
"formula_full": "Y7 Fe1 I12",
"formula_reduced": "Y7FeI12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 1.1986469475,
"spacegroup": 148
},
{
"id": "jvasp-65777",
"created_at": "2022-09-04T14:36:11.588730Z",
"updated_at": "2022-09-04T14:36:11.588750Z",
"structure_string": "Ba2 Mn1 Sn1\n1.0\n0.000000 4.172384 4.172384\n4.172384 0.000000 4.172384\n4.172384 4.172384 -0.000000\nBa Mn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sn"
],
"chemical_system": "Ba-Mn-Sn",
"density": 5.124329030469678,
"density_atomic": 0.027534499185884458,
"volume": 145.27229905276786,
"volume_molar": 21.87125583561457,
"formula_full": "Ba2 Mn1 Sn1",
"formula_reduced": "Ba2MnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0353752203448274,
"spacegroup": 225
},
{
"id": "jvasp-66658",
"created_at": "2022-09-04T14:36:12.411398Z",
"updated_at": "2022-09-04T14:36:12.411418Z",
"structure_string": "Ba4 Rh1 Se1\n1.0\n-0.000000 4.776169 4.776169\n4.776169 -0.000000 4.776169\n4.776169 4.776169 0.000000\nBa Rh Se\n4 1 1\ndirect\n0.125483 0.624839 0.624839 Ba\n0.624839 0.624839 0.624839 Ba\n0.624839 0.125483 0.624839 Ba\n0.624839 0.624839 0.125483 Ba\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Se"
],
"chemical_system": "Ba-Rh-Se",
"density": 5.571863752935077,
"density_atomic": 0.027534817244316955,
"volume": 217.9059314889177,
"volume_molar": 21.87100319775298,
"formula_full": "Ba4 Rh1 Se1",
"formula_reduced": "Ba4RhSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6688967077777778,
"spacegroup": 216
},
{
"id": "jvasp-20782",
"created_at": "2022-09-04T14:38:02.897906Z",
"updated_at": "2022-09-04T14:38:02.897932Z",
"structure_string": "Sr10 Sb6\n1.0\n4.771918 -8.265205 0.000000\n4.771918 8.265205 -0.000000\n-0.000000 0.000000 7.366246\nSr Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.000000 0.253322 0.250000 Sr\n0.746678 0.000000 0.750000 Sr\n0.253322 0.253322 0.750000 Sr\n0.746678 0.746678 0.250000 Sr\n0.253322 0.000000 0.250000 Sr\n0.000000 0.746678 0.750000 Sr\n0.000000 0.610284 0.250000 Sb\n0.389716 0.000000 0.750000 Sb\n0.610284 0.610284 0.750000 Sb\n0.389716 0.389716 0.250000 Sb\n0.610284 0.000000 0.250000 Sb\n0.000000 0.389716 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"Sb"
],
"chemical_system": "Sb-Sr",
"density": 4.591740044793433,
"density_atomic": 0.027535766280097317,
"volume": 581.0624566335276,
"volume_molar": 21.870249401240617,
"formula_full": "Sr10 Sb6",
"formula_reduced": "Sr5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.32084413125,
"spacegroup": 193
},
{
"id": "jvasp-102094",
"created_at": "2022-09-04T14:36:39.938716Z",
"updated_at": "2022-09-04T14:36:39.938736Z",
"structure_string": "Rb3 Tb1 Cl6\n1.0\n6.935284 -0.000000 4.004089\n2.311761 6.538649 4.004089\n-0.000000 -0.000000 8.008177\nTb Rb Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.767857 0.232142 0.232143 Cl\n0.232142 0.232142 0.767858 Cl\n0.232142 0.767858 0.767858 Cl\n0.232142 0.767858 0.232142 Cl\n0.767857 0.232142 0.767859 Cl\n0.767857 0.767858 0.232143 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb-Tb",
"density": 2.8718062190848164,
"density_atomic": 0.02753683749298718,
"volume": 363.1499079204976,
"volume_molar": 21.86939862478275,
"formula_full": "Rb3 Tb1 Cl6",
"formula_reduced": "Rb3TbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1615",
"created_at": "2022-09-04T14:36:48.667963Z",
"updated_at": "2022-09-04T14:36:48.667979Z",
"structure_string": "K1 Sm1 Te2\n1.0\n4.373169 -0.003467 7.338527\n2.018142 3.879654 7.338527\n-0.005716 -0.003467 8.542748\nK Sm Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.499999 0.500001 Sm\n0.238670 0.238669 0.238671 Te\n0.761330 0.761328 0.761332 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sm",
"Te"
],
"chemical_system": "K-Sm-Te",
"density": 5.0844357791808,
"density_atomic": 0.02754401567044932,
"volume": 145.22210733024713,
"volume_molar": 21.863699295164402,
"formula_full": "K1 Sm1 Te2",
"formula_reduced": "KSmTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2350656020833333,
"spacegroup": 166
},
{
"id": "jvasp-65587",
"created_at": "2022-09-04T14:36:06.910409Z",
"updated_at": "2022-09-04T14:36:06.910434Z",
"structure_string": "K1 Ba1 Cr2\n1.0\n5.919700 0.000000 0.000000\n0.000000 5.919700 0.000000\n0.000000 -0.000000 4.143669\nK Ba Cr\n1 1 2\ndirect\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cr"
],
"chemical_system": "Ba-Cr-K",
"density": 3.2067843711010675,
"density_atomic": 0.027547078019613497,
"volume": 145.2059633022422,
"volume_molar": 21.86126875493742,
"formula_full": "K1 Ba1 Cr2",
"formula_reduced": "KBaCr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3727571925,
"spacegroup": 123
},
{
"id": "jvasp-122583",
"created_at": "2022-09-04T14:38:54.650264Z",
"updated_at": "2022-09-04T14:38:54.650295Z",
"structure_string": "Mg1 Sn7\n1.0\n6.622115 0.000000 0.000000\n-0.000000 6.622115 0.000000\n0.000000 -0.000000 6.622115\nMg Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Mg\n0.247726 0.247726 0.747726 Sn\n0.000000 0.500000 0.000000 Sn\n0.247726 0.752275 0.252274 Sn\n0.500000 0.000000 0.000000 Sn\n0.752275 0.247726 0.252274 Sn\n0.500000 0.500000 0.500000 Sn\n0.752275 0.752275 0.747726 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.890629010560071,
"density_atomic": 0.027548618927676155,
"volume": 290.3956826657094,
"volume_molar": 21.860045963864923,
"formula_full": "Mg1 Sn7",
"formula_reduced": "MgSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.4258469928571429,
"spacegroup": 215
},
{
"id": "jvasp-32810",
"created_at": "2022-09-04T14:37:08.557711Z",
"updated_at": "2022-09-04T14:37:08.557743Z",
"structure_string": "Nb2 I6\n1.0\n7.156041 0.000000 -0.000000\n-3.578021 6.197314 -0.000000\n-0.000000 -0.000000 6.547748\nNb I\n2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.674323 0.000000 0.750000 I\n-0.000000 0.325677 0.250000 I\n0.325677 0.000000 0.250000 I\n-0.000000 0.674322 0.750000 I\n0.674323 0.674322 0.250000 I\n0.325677 0.325677 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"I"
],
"chemical_system": "I-Nb",
"density": 5.416773250580907,
"density_atomic": 0.02755000671848948,
"volume": 290.3810544129924,
"volume_molar": 21.858944796403243,
"formula_full": "Nb2 I6",
"formula_reduced": "NbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.01917205625,
"spacegroup": 193
},
{
"id": "jvasp-2898",
"created_at": "2022-09-04T14:36:44.731689Z",
"updated_at": "2022-09-04T14:36:44.731726Z",
"structure_string": "Rb2 Te2 Au2\n1.0\n5.060430 0.000000 0.000000\n0.000000 5.978286 0.000000\n0.000000 0.000000 7.198216\nRb Te Au\n2 2 2\ndirect\n0.500000 0.250000 0.710936 Rb\n0.500000 0.750000 0.289064 Rb\n0.000000 0.250000 0.303737 Te\n0.000000 0.750000 0.696264 Te\n0.000000 0.500000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Au"
],
"chemical_system": "Au-Rb-Te",
"density": 6.253315917567909,
"density_atomic": 0.027552579636579023,
"volume": 217.7654535125398,
"volume_molar": 21.85690356196252,
"formula_full": "Rb2 Te2 Au2",
"formula_reduced": "RbTeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0821675561111112,
"spacegroup": 51
},
{
"id": "jvasp-99729",
"created_at": "2022-09-04T14:36:32.918862Z",
"updated_at": "2022-09-04T14:36:32.918891Z",
"structure_string": "Rb2 Tl1 Hg1 Br6\n1.0\n6.933829 0.000000 4.003248\n2.311276 6.537277 4.003248\n0.000000 0.000000 8.006497\nRb Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746004 0.253997 0.253997 Br\n0.253997 0.253997 0.746004 Br\n0.253997 0.746004 0.746004 Br\n0.253997 0.746004 0.253997 Br\n0.746004 0.253997 0.746004 Br\n0.746004 0.746004 0.253997 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Rb-Tl",
"density": 4.828653203199095,
"density_atomic": 0.027554176772977376,
"volume": 362.92138510946506,
"volume_molar": 21.855636659433667,
"formula_full": "Rb2 Tl1 Hg1 Br6",
"formula_reduced": "Rb2TlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107525",
"created_at": "2022-09-04T14:36:55.458663Z",
"updated_at": "2022-09-04T14:36:55.458685Z",
"structure_string": "Sn1 Sb1\n1.0\n4.105312 -0.092418 1.420612\n0.982207 3.987154 1.420612\n-0.120721 -0.092418 4.342482\nSn Sb\n1 1\ndirect\n0.347405 0.347404 0.347405 Sn\n0.652596 0.652594 0.652595 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn",
"density": 5.501361611339383,
"density_atomic": 0.027554351067987846,
"volume": 72.58381789014673,
"volume_molar": 21.85549841163349,
"formula_full": "Sn1 Sb1",
"formula_reduced": "SnSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.7350539000000003,
"spacegroup": 160
}
]
}