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=52",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=50",
"results": [
{
"id": "jvasp-114184",
"created_at": "2022-09-04T14:38:39.649115Z",
"updated_at": "2022-09-04T14:38:39.649133Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n4.202976 0.000000 0.000000\n0.000000 4.202976 0.000000\n0.000000 0.000000 8.843740\nSr Ca S\n1 1 1\ndirect\n0.000000 0.000000 0.046510 Sr\n0.000000 0.000000 0.476457 Ca\n0.000000 0.000000 0.752204 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 1.6981479227495948,
"density_atomic": 0.019203105523119345,
"volume": 156.2247312752714,
"volume_molar": 31.360244064428624,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.234420291111111,
"spacegroup": 99
},
{
"id": "jvasp-115524",
"created_at": "2022-09-04T14:38:44.149607Z",
"updated_at": "2022-09-04T14:38:44.149634Z",
"structure_string": "Ba1 Bi1 Br1\n1.0\n7.035836 -0.008236 0.000000\n0.000927 6.084926 0.000000\n0.000000 0.000000 3.644063\nBa Bi Br\n1 1 1\ndirect\n-0.052286 -0.047035 0.000000 Ba\n0.449774 -0.045369 0.000000 Bi\n-0.000079 0.453072 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Br"
],
"chemical_system": "Ba-Bi-Br",
"density": 4.536461153033294,
"density_atomic": 0.01922933616412841,
"volume": 156.01162590294643,
"volume_molar": 31.317465712800182,
"formula_full": "Ba1 Bi1 Br1",
"formula_reduced": "BaBiBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.173813811111111,
"spacegroup": 25
},
{
"id": "jvasp-38242",
"created_at": "2022-09-04T14:38:15.529521Z",
"updated_at": "2022-09-04T14:38:15.529537Z",
"structure_string": "Rb3 Mg3\n1.0\n0.000000 0.000000 5.327265\n5.794760 5.050076 0.000000\n0.000000 10.100157 0.000000\nRb Mg\n3 3\ndirect\n0.500000 0.333335 0.105450 Rb\n0.000000 0.713158 0.570081 Rb\n0.000000 0.953508 0.949905 Rb\n0.500000 0.600080 0.342769 Mg\n0.000000 0.333335 0.422282 Mg\n0.500000 0.066587 0.609515 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7538692548136228,
"density_atomic": 0.019243469294349717,
"volume": 311.7940901520146,
"volume_molar": 31.294464983859356,
"formula_full": "Rb3 Mg3",
"formula_reduced": "RbMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3969005,
"spacegroup": 38
},
{
"id": "jvasp-120848",
"created_at": "2022-09-04T14:38:53.327301Z",
"updated_at": "2022-09-04T14:38:53.327326Z",
"structure_string": "Ba3 Br1\n1.0\n7.931503 0.737326 -1.666788\n3.013599 -5.744073 -1.450276\n-2.037903 -0.082759 -3.899791\nBa Br\n3 1\ndirect\n0.207964 -0.016523 0.793857 Ba\n0.476643 0.349252 0.427178 Ba\n0.842336 0.665747 0.110775 Ba\n0.842290 0.165701 0.110493 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 3.9365369680832067,
"density_atomic": 0.019277985494116,
"volume": 207.49055969675229,
"volume_molar": 31.238433921625628,
"formula_full": "Ba3 Br1",
"formula_reduced": "Ba3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-25155",
"created_at": "2022-09-04T14:37:53.828952Z",
"updated_at": "2022-09-04T14:37:53.828985Z",
"structure_string": "Sr6\n1.0\n6.951379 -0.000000 -0.000000\n-3.475689 6.020071 0.000000\n-0.000000 -0.000000 7.437139\nSr\n6\ndirect\n0.333324 0.000000 0.000000 Sr\n-0.000000 0.333324 0.000000 Sr\n0.666676 0.666676 0.000000 Sr\n-0.000000 0.333324 0.500000 Sr\n0.333324 0.000000 0.500000 Sr\n0.666676 0.666676 0.500000 Sr\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.804949956151015,
"density_atomic": 0.019278479190292953,
"volume": 311.22786920978206,
"volume_molar": 31.237633946936292,
"formula_full": "Sr6",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.2163999999999999,
"spacegroup": 191
},
{
"id": "jvasp-17530",
"created_at": "2022-09-04T14:37:56.011661Z",
"updated_at": "2022-09-04T14:37:56.011678Z",
"structure_string": "Sr6\n1.0\n6.951379 -0.000000 -0.000000\n-3.475689 6.020071 0.000000\n-0.000000 -0.000000 7.437139\nSr\n6\ndirect\n0.333324 0.000000 0.000000 Sr\n-0.000000 0.333324 0.000000 Sr\n0.666676 0.666676 0.000000 Sr\n-0.000000 0.333324 0.500000 Sr\n0.333324 0.000000 0.500000 Sr\n0.666676 0.666676 0.500000 Sr\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.804949956151015,
"density_atomic": 0.019278479190292953,
"volume": 311.22786920978206,
"volume_molar": 31.237633946936292,
"formula_full": "Sr6",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.2163999999999999,
"spacegroup": 191
},
{
"id": "jvasp-115552",
"created_at": "2022-09-04T14:38:46.783649Z",
"updated_at": "2022-09-04T14:38:46.783674Z",
"structure_string": "Ba1 Cd1 O1\n1.0\n4.461126 -0.000000 0.000000\n-0.000000 4.461126 0.000000\n-0.000000 -0.000000 7.815459\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.426140 Ba\n0.000000 0.000000 -0.028174 Cd\n0.000000 0.000000 0.704918 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"O"
],
"chemical_system": "Ba-Cd-O",
"density": 2.83699330307681,
"density_atomic": 0.019287582040251043,
"volume": 155.54049199839218,
"volume_molar": 31.222891223132383,
"formula_full": "Ba1 Cd1 O1",
"formula_reduced": "BaCdO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-64565",
"created_at": "2022-09-04T14:36:11.539312Z",
"updated_at": "2022-09-04T14:36:11.539337Z",
"structure_string": "K1 Ba1 Cl1\n1.0\n-0.000000 4.267584 4.267584\n4.267584 0.000000 4.267584\n4.267584 4.267584 0.000000\nK Ba Cl\n1 1 1\ndirect\n0.499999 0.499999 0.499999 K\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl-K",
"density": 2.2633897609629607,
"density_atomic": 0.019299454082799553,
"volume": 155.4448113987701,
"volume_molar": 31.203684488501537,
"formula_full": "K1 Ba1 Cl1",
"formula_reduced": "KBaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-38198",
"created_at": "2022-09-04T14:37:57.606778Z",
"updated_at": "2022-09-04T14:37:57.606802Z",
"structure_string": "Rb3 Tc1\n1.0\n-3.055171 3.055171 5.550507\n3.055171 -3.055171 5.550507\n3.055171 3.055171 -5.550507\nRb Tc\n3 1\ndirect\n0.750001 0.250001 0.500000 Rb\n0.250001 0.750001 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tc"
],
"chemical_system": "Rb-Tc",
"density": 2.8397707728600174,
"density_atomic": 0.01930173280076537,
"volume": 207.23527992478418,
"volume_molar": 31.200000653626315,
"formula_full": "Rb3 Tc1",
"formula_reduced": "Rb3Tc",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9621378749999998,
"spacegroup": 139
},
{
"id": "jvasp-107868",
"created_at": "2022-09-04T14:36:51.543820Z",
"updated_at": "2022-09-04T14:36:51.543837Z",
"structure_string": "Rb3 Sb1 I6\n1.0\n7.806917 -0.000000 4.507325\n2.602306 7.360432 4.507325\n-0.000000 -0.000000 9.014651\nRb Sb I\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.763840 0.236160 0.236161 I\n0.236160 0.236160 0.763840 I\n0.236161 0.763840 0.763840 I\n0.236161 0.763840 0.236161 I\n0.763840 0.236160 0.763840 I\n0.763841 0.763840 0.236161 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"I"
],
"chemical_system": "I-Rb-Sb",
"density": 3.6531375616578297,
"density_atomic": 0.019304929292521707,
"volume": 518.0024152626021,
"volume_molar": 31.194834587313622,
"formula_full": "Rb3 Sb1 I6",
"formula_reduced": "Rb3SbI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25297",
"created_at": "2022-09-04T14:37:28.337930Z",
"updated_at": "2022-09-04T14:37:28.337941Z",
"structure_string": "Sr2\n1.0\n3.714572 -0.030789 -0.006031\n0.030736 4.012225 0.002265\n0.013374 -0.003816 6.947763\nSr\n2\ndirect\n0.999980 0.999842 0.000001 Sr\n0.000020 0.500156 0.500000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.810051115368822,
"density_atomic": 0.019313539563334977,
"volume": 103.55429637542052,
"volume_molar": 31.18092745377701,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.2166399999999999,
"spacegroup": 191
},
{
"id": "jvasp-38258",
"created_at": "2022-09-04T14:37:54.244048Z",
"updated_at": "2022-09-04T14:37:54.244074Z",
"structure_string": "Rb3 Ag1\n1.0\n5.915201 0.000000 -0.000000\n0.000000 5.915201 0.000000\n-0.000000 0.000000 5.915201\nRb Ag\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ag"
],
"chemical_system": "Ag-Rb",
"density": 2.922576519894696,
"density_atomic": 0.01932642258222606,
"volume": 206.97053388859882,
"volume_molar": 31.160142206237307,
"formula_full": "Rb3 Ag1",
"formula_reduced": "Rb3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
}
]
}