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=3990",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3988",
"results": [
{
"id": "jvasp-3882",
"created_at": "2022-09-04T14:36:01.543565Z",
"updated_at": "2022-09-04T14:36:01.543593Z",
"structure_string": "Tl2 Te1 Cl6\n1.0\n6.182766 -0.000000 3.569622\n2.060922 5.829168 3.569622\n0.000000 0.000000 7.139243\nTl Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n0.000000 0.000000 0.000000 Te\n0.253702 0.746298 0.746297 Cl\n0.253702 0.746298 0.253702 Cl\n0.746298 0.253703 0.746297 Cl\n0.746298 0.253703 0.253702 Cl\n0.746298 0.746298 0.253702 Cl\n0.253703 0.253703 0.746297 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Cl"
],
"chemical_system": "Cl-Te-Tl",
"density": 4.834353675588957,
"density_atomic": 0.034978482397412615,
"volume": 257.3010429024713,
"volume_molar": 17.216701089483124,
"formula_full": "Tl2 Te1 Cl6",
"formula_reduced": "Tl2TeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22374",
"created_at": "2022-09-04T14:37:57.196013Z",
"updated_at": "2022-09-04T14:37:57.196033Z",
"structure_string": "Sr4 Ga4 Sn4\n1.0\n2.301771 -3.986786 -0.000000\n2.301771 3.986786 -0.000000\n-0.000000 0.000000 18.693958\nSr Ga Sn\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.250000 Sr\n0.666667 0.333333 0.161793 Ga\n0.333333 0.666667 0.661793 Ga\n0.666667 0.333333 0.338208 Ga\n0.333333 0.666667 0.838208 Ga\n0.333333 0.666667 0.385336 Sn\n0.666667 0.333333 0.885336 Sn\n0.666667 0.333333 0.614664 Sn\n0.333333 0.666667 0.114664 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Sn"
],
"chemical_system": "Ga-Sn-Sr",
"density": 5.344231506876646,
"density_atomic": 0.03497558193487491,
"volume": 343.09650722450283,
"volume_molar": 17.21812883975261,
"formula_full": "Sr4 Ga4 Sn4",
"formula_reduced": "SrGaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-37474",
"created_at": "2022-09-04T14:37:58.497714Z",
"updated_at": "2022-09-04T14:37:58.497734Z",
"structure_string": "Yb3 V1\n1.0\n0.000000 3.852703 3.852703\n3.852703 0.000000 3.852703\n3.852703 3.852703 0.000000\nYb V\n3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.249999 0.249999 0.249999 Yb\n0.749998 0.749998 0.749998 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"V"
],
"chemical_system": "V-Yb",
"density": 8.27645236386366,
"density_atomic": 0.0349730414320883,
"volume": 114.37381011792526,
"volume_molar": 17.219379594691453,
"formula_full": "Yb3 V1",
"formula_reduced": "Yb3V",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6065415750000002,
"spacegroup": 225
},
{
"id": "jvasp-104728",
"created_at": "2022-09-04T14:36:42.033383Z",
"updated_at": "2022-09-04T14:36:42.033413Z",
"structure_string": "Li2 U1 Br6\n1.0\n6.861580 -0.000000 0.000000\n-3.430790 5.942302 0.000000\n-0.000000 -0.000000 6.312020\nLi U Br\n2 1 6\ndirect\n0.333333 0.666666 0.500000 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.500000 U\n0.662689 0.662689 0.747521 Br\n-0.000000 0.337311 0.747521 Br\n0.337311 0.000000 0.747521 Br\n0.337311 0.337311 0.252479 Br\n-0.000000 0.662689 0.252479 Br\n0.662689 0.000000 0.252479 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"U",
"Br"
],
"chemical_system": "Br-Li-U",
"density": 4.718654560404806,
"density_atomic": 0.03496997261262202,
"volume": 257.36365594840504,
"volume_molar": 17.220890695883405,
"formula_full": "Li2 U1 Br6",
"formula_reduced": "Li2UBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7306456255555556,
"spacegroup": 162
},
{
"id": "jvasp-88921",
"created_at": "2022-09-04T14:35:49.565352Z",
"updated_at": "2022-09-04T14:35:49.565375Z",
"structure_string": "La3 Pb1 C1\n1.0\n5.229141 0.000000 -0.000000\n0.000000 5.229141 0.000000\n0.000000 0.000000 5.229141\nLa Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Pb",
"C"
],
"chemical_system": "C-La-Pb",
"density": 7.385253035870336,
"density_atomic": 0.03496865650655946,
"volume": 142.98519015341907,
"volume_molar": 17.22153883398511,
"formula_full": "La3 Pb1 C1",
"formula_reduced": "La3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.445453164,
"spacegroup": 221
},
{
"id": "jvasp-18598",
"created_at": "2022-09-04T14:36:44.326685Z",
"updated_at": "2022-09-04T14:36:44.326698Z",
"structure_string": "Ba1 Au2\n1.0\n2.442982 -4.231368 0.000000\n2.442982 4.231368 0.000000\n-0.000000 0.000000 4.149966\nBa Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Au"
],
"chemical_system": "Au-Ba",
"density": 10.282074102634654,
"density_atomic": 0.03496597606889236,
"volume": 85.79769070622237,
"volume_molar": 17.222859010527166,
"formula_full": "Ba1 Au2",
"formula_reduced": "BaAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1395825233333332,
"spacegroup": 191
},
{
"id": "jvasp-115149",
"created_at": "2022-09-04T14:38:44.548672Z",
"updated_at": "2022-09-04T14:38:44.548698Z",
"structure_string": "Tl1 In1 S1\n1.0\n3.097364 0.000000 0.000000\n0.000000 3.097364 0.000000\n0.000000 0.000000 8.943239\nTl In S\n1 1 1\ndirect\n0.000000 0.000000 0.693159 Tl\n0.000000 0.000000 0.293587 In\n0.000000 0.000000 0.004411 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 6.7983928023522,
"density_atomic": 0.03496567568111495,
"volume": 85.7984277884356,
"volume_molar": 17.223006970955154,
"formula_full": "Tl1 In1 S1",
"formula_reduced": "TlInS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2734808566666667,
"spacegroup": 99
},
{
"id": "jvasp-9591",
"created_at": "2022-09-04T14:38:05.661329Z",
"updated_at": "2022-09-04T14:38:05.661354Z",
"structure_string": "Ho4 Cd2 Se8\n1.0\n7.164712 0.000000 4.136548\n2.388237 6.754955 4.136548\n0.000000 0.000000 8.273096\nHo Cd Se\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 -0.000000 0.500000 Ho\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875001 0.875001 Cd\n0.742938 0.742939 0.742939 Se\n0.257062 0.257062 0.728814 Se\n0.257062 0.728814 0.257062 Se\n0.728813 0.257062 0.257062 Se\n0.742938 0.271187 0.742939 Se\n0.271186 0.742939 0.742938 Se\n0.257062 0.257062 0.257062 Se\n0.742938 0.742939 0.271187 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Se"
],
"chemical_system": "Cd-Ho-Se",
"density": 6.288151493770177,
"density_atomic": 0.03496542197946239,
"volume": 400.3955681765593,
"volume_molar": 17.223131937424405,
"formula_full": "Ho4 Cd2 Se8",
"formula_reduced": "Ho2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8325134785714285,
"spacegroup": 227
},
{
"id": "jvasp-115198",
"created_at": "2022-09-04T14:38:45.279097Z",
"updated_at": "2022-09-04T14:38:45.279128Z",
"structure_string": "Li2 I1\n1.0\n3.826644 0.376679 0.558687\n-1.303579 -3.614518 -0.581007\n-0.008091 -2.564993 -6.720297\nLi I\n2 1\ndirect\n0.799598 0.634758 0.601260 Li\n0.435711 0.433784 0.166046 Li\n0.117583 0.034197 0.883737 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 2.7246469497936348,
"density_atomic": 0.034964029125736824,
"volume": 85.80246827994193,
"volume_molar": 17.223818051241512,
"formula_full": "Li2 I1",
"formula_reduced": "Li2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4565733333333333,
"spacegroup": 12
},
{
"id": "jvasp-102509",
"created_at": "2022-09-04T14:36:44.636770Z",
"updated_at": "2022-09-04T14:36:44.636790Z",
"structure_string": "La1 Lu1 Tl2\n1.0\n4.719038 0.000000 2.724538\n1.573013 4.449152 2.724538\n-0.000000 -0.000000 5.449076\nLa Lu Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Lu",
"Tl"
],
"chemical_system": "La-Lu-Tl",
"density": 10.488586227367177,
"density_atomic": 0.0349628163096305,
"volume": 114.40725954614247,
"volume_molar": 17.224415523818088,
"formula_full": "La1 Lu1 Tl2",
"formula_reduced": "LaLuTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3888589875,
"spacegroup": 225
},
{
"id": "jvasp-69533",
"created_at": "2022-09-04T14:36:13.941214Z",
"updated_at": "2022-09-04T14:36:13.941235Z",
"structure_string": "Ca4 Ta1 Be1\n1.0\n-0.000000 4.410687 4.410687\n4.410687 0.000000 4.410687\n4.410687 4.410687 0.000000\nCa Ta Be\n4 1 1\ndirect\n0.125685 0.624772 0.624772 Ca\n0.624772 0.624772 0.624772 Ca\n0.624772 0.125685 0.624772 Ca\n0.624772 0.624772 0.125685 Ca\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"Be"
],
"chemical_system": "Be-Ca-Ta",
"density": 3.389267772055661,
"density_atomic": 0.03496250455231158,
"volume": 171.61241955714826,
"volume_molar": 17.224569112288727,
"formula_full": "Ca4 Ta1 Be1",
"formula_reduced": "Ca4TaBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4521428300000006,
"spacegroup": 216
},
{
"id": "jvasp-36187",
"created_at": "2022-09-04T14:37:18.108883Z",
"updated_at": "2022-09-04T14:37:18.108902Z",
"structure_string": "Br2 Cl2\n1.0\n3.235564 2.261785 0.000000\n-3.235564 2.261785 0.000000\n0.000000 0.000000 7.817153\nBr Cl\n2 2\ndirect\n0.999861 0.999861 0.375012 Br\n0.000141 0.000141 0.875012 Br\n0.681402 0.681402 0.624988 Cl\n0.318600 0.318600 0.124988 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"Cl"
],
"chemical_system": "Br-Cl",
"density": 3.3484446485865287,
"density_atomic": 0.03496069594012559,
"volume": 114.41419835722043,
"volume_molar": 17.225460186243552,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5000000000001124e-05,
"spacegroup": 63
}
]
}