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=-energy_above_hull&page=3643",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3641",
"results": [
{
"id": "jvasp-96161",
"created_at": "2022-09-04T14:36:02.114087Z",
"updated_at": "2022-09-04T14:36:02.114122Z",
"structure_string": "C60\n1.0\n8.637989 -0.000000 4.987144\n2.879329 8.143973 4.987144\n-0.000000 -0.000000 9.974290\nC\n60\ndirect\n0.704306 0.398485 0.927644 C\n0.197122 0.969178 0.601058 C\n0.197545 0.802455 0.703198 C\n0.197122 0.232642 0.969178 C\n0.295694 0.601515 0.072355 C\n0.703198 0.197545 0.802454 C\n0.767358 0.398942 0.030821 C\n0.969179 0.197122 0.232641 C\n0.802878 0.398942 0.767358 C\n0.927645 0.969564 0.704305 C\n0.802878 0.030822 0.398942 C\n0.802455 0.197545 0.296801 C\n0.969179 0.601058 0.197121 C\n0.030822 0.398942 0.802878 C\n0.197545 0.296802 0.802455 C\n0.704307 0.969564 0.398485 C\n0.927645 0.398485 0.969563 C\n0.232642 0.969178 0.197121 C\n0.802455 0.703198 0.197544 C\n0.197545 0.703198 0.296802 C\n0.072355 0.030436 0.295694 C\n0.601515 0.072355 0.295693 C\n0.802878 0.767358 0.030821 C\n0.030822 0.767358 0.398942 C\n0.969564 0.704306 0.927644 C\n0.232642 0.197122 0.601058 C\n0.296802 0.802455 0.197545 C\n0.197122 0.601058 0.232641 C\n0.030822 0.802878 0.767358 C\n0.295694 0.072355 0.030436 C\n0.398942 0.767358 0.802878 C\n0.030436 0.072355 0.601515 C\n0.767359 0.802878 0.398941 C\n0.398485 0.927644 0.704306 C\n0.030436 0.295694 0.072355 C\n0.601058 0.969178 0.232641 C\n0.927645 0.704306 0.398484 C\n0.601058 0.232642 0.197122 C\n0.703198 0.296802 0.197545 C\n0.601058 0.197122 0.969178 C\n0.030436 0.601515 0.295693 C\n0.398942 0.802878 0.030821 C\n0.703198 0.802455 0.296801 C\n0.072356 0.601515 0.030436 C\n0.704307 0.927644 0.969563 C\n0.072356 0.295694 0.601515 C\n0.232642 0.601058 0.969178 C\n0.398485 0.969564 0.927644 C\n0.601515 0.030436 0.072355 C\n0.601515 0.295694 0.030436 C\n0.767358 0.030822 0.802878 C\n0.295694 0.030436 0.601515 C\n0.296802 0.197545 0.703198 C\n0.969179 0.232642 0.601057 C\n0.398942 0.030822 0.767358 C\n0.969564 0.398485 0.704306 C\n0.969564 0.927644 0.398484 C\n0.296802 0.703198 0.802455 C\n0.398485 0.704306 0.969563 C\n0.802455 0.296802 0.703198 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7054449459814844,
"density_atomic": 0.0855106657120762,
"volume": 701.6668564132875,
"volume_molar": 7.042560959912544,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.4149700000000003,
"spacegroup": 202
},
{
"id": "jvasp-100835",
"created_at": "2022-09-04T14:36:35.888831Z",
"updated_at": "2022-09-04T14:36:35.888851Z",
"structure_string": "Ga1 Cu1 Se2\n1.0\n3.774266 0.000000 0.000000\n0.000000 3.774266 0.000000\n-0.000000 0.000000 5.284202\nGa Cu Se\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Se\n0.500001 0.500001 -0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 6.423617043652837,
"density_atomic": 0.053139268363270306,
"volume": 75.27390051092212,
"volume_molar": 11.332750610775221,
"formula_full": "Ga1 Cu1 Se2",
"formula_reduced": "GaCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4148473770833333,
"spacegroup": 123
},
{
"id": "jvasp-109657",
"created_at": "2022-09-04T14:38:18.921693Z",
"updated_at": "2022-09-04T14:38:18.921713Z",
"structure_string": "Zn4 Co1 Se5\n1.0\n6.139794 0.006858 3.281069\n4.819455 3.803941 3.281069\n0.006503 0.002261 9.851163\nZn Co Se\n4 1 5\ndirect\n0.598538 0.598539 0.603747 Zn\n0.202409 0.202410 0.197978 Zn\n0.798454 0.798455 0.801720 Zn\n0.401368 0.401369 0.395494 Zn\n-0.000976 -0.000976 0.000956 Co\n0.800845 0.800846 0.548548 Se\n0.405773 0.405774 0.140787 Se\n0.998251 0.998253 0.758149 Se\n0.601243 0.601244 0.350766 Se\n0.194086 0.194086 0.951856 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Co",
"Se"
],
"chemical_system": "Co-Se-Zn",
"density": 5.1723866687819795,
"density_atomic": 0.04354232865075628,
"volume": 229.66158011914945,
"volume_molar": 13.830543626415356,
"formula_full": "Zn4 Co1 Se5",
"formula_reduced": "Zn4CoSe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.4146889333333333,
"spacegroup": 8
},
{
"id": "jvasp-119750",
"created_at": "2022-09-04T14:38:52.366364Z",
"updated_at": "2022-09-04T14:38:52.366396Z",
"structure_string": "Li8 Mn4 F16\n1.0\n6.027405 -0.000000 0.000000\n0.000000 6.027405 0.000000\n-0.000000 -0.000000 8.453029\nLi Mn F\n8 4 16\ndirect\n-0.000000 0.214403 -0.000000 Li\n-0.000000 0.785597 0.500000 Li\n0.250825 0.250825 0.625000 Li\n0.250825 0.749174 0.875000 Li\n0.214403 0.000000 0.250000 Li\n0.785597 0.000000 0.750000 Li\n0.749174 0.250825 0.375000 Li\n0.749174 0.749174 0.125000 Li\n0.777632 0.500000 0.750000 Mn\n0.500000 0.777632 0.500000 Mn\n0.500000 0.222367 -0.000000 Mn\n0.222367 0.500000 0.250000 Mn\n0.759047 -0.001661 0.987077 F\n0.759047 0.001661 0.512924 F\n0.753153 0.478006 0.000843 F\n0.753153 0.521993 0.499157 F\n0.478006 0.753153 0.249157 F\n0.478006 0.246846 0.250843 F\n0.521993 0.753153 0.750843 F\n-0.001661 0.759047 0.262924 F\n0.246846 0.478006 -0.000843 F\n0.246846 0.521993 0.500843 F\n0.240952 0.001661 0.487076 F\n0.240952 -0.001661 0.012924 F\n0.001661 0.240952 0.762924 F\n-0.001661 0.240952 0.237076 F\n0.521993 0.246846 0.749157 F\n0.001661 0.759047 0.737077 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.132171295337648,
"density_atomic": 0.0911769214494028,
"volume": 307.09525562933334,
"volume_molar": 6.604895914742956,
"formula_full": "Li8 Mn4 F16",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4146854816256154,
"spacegroup": 95
},
{
"id": "jvasp-79584",
"created_at": "2022-09-04T14:36:48.849858Z",
"updated_at": "2022-09-04T14:36:48.849867Z",
"structure_string": "Y2 I2\n1.0\n-1.968753 -3.409963 0.000014\n-1.968738 3.409953 0.000000\n-0.000001 0.000000 -10.564155\nY I\n2 2\ndirect\n0.666662 0.333331 0.368215 Y\n0.333337 0.666668 0.631785 Y\n0.333333 0.666667 0.166736 I\n0.666667 0.333333 0.833264 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"I"
],
"chemical_system": "I-Y",
"density": 5.052984117549788,
"density_atomic": 0.028200487932592933,
"volume": 141.8415174078236,
"volume_molar": 21.3547395860476,
"formula_full": "Y2 I2",
"formula_reduced": "YI",
"formula_anonymous": "AB",
"energy_above_hull": 0.4146208624999998,
"spacegroup": 164
},
{
"id": "jvasp-15481",
"created_at": "2022-09-04T14:36:01.807589Z",
"updated_at": "2022-09-04T14:36:01.807614Z",
"structure_string": "Pr1 Cu2 Ge2\n1.0\n3.920344 0.000000 -1.477307\n-0.556694 3.880617 -1.477307\n-0.003082 -0.003556 5.932204\nPr Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.499999 Cu\n0.250001 0.750000 0.499999 Cu\n0.623536 0.623536 0.247070 Ge\n0.376465 0.376464 0.752928 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Pr",
"density": 7.607646633560311,
"density_atomic": 0.055427745952979765,
"volume": 90.207528991736,
"volume_molar": 10.8648487440003,
"formula_full": "Pr1 Cu2 Ge2",
"formula_reduced": "Pr(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4146125299999998,
"spacegroup": 139
},
{
"id": "jvasp-37538",
"created_at": "2022-09-04T14:38:33.706118Z",
"updated_at": "2022-09-04T14:38:33.706150Z",
"structure_string": "Sn2 Au6\n1.0\n2.934473 -5.082657 0.000000\n2.934473 5.082657 -0.000000\n-0.000000 -0.000000 5.303773\nSn Au\n2 6\ndirect\n0.333332 0.666667 0.250000 Sn\n0.666667 0.333332 0.750000 Sn\n0.165357 0.834642 0.750000 Au\n0.669284 0.834641 0.750000 Au\n0.165358 0.330715 0.750000 Au\n0.834642 0.165357 0.250000 Au\n0.330715 0.165358 0.250000 Au\n0.834641 0.669284 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Au"
],
"chemical_system": "Au-Sn",
"density": 14.895764465599902,
"density_atomic": 0.05056548098807148,
"volume": 158.2106971727851,
"volume_molar": 11.909588601403074,
"formula_full": "Sn2 Au6",
"formula_reduced": "SnAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4146036025,
"spacegroup": 194
},
{
"id": "jvasp-119373",
"created_at": "2022-09-04T14:38:31.836547Z",
"updated_at": "2022-09-04T14:38:31.836575Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.923745 -0.000000 0.000000\n0.000000 5.339830 0.000000\n-0.000000 -0.000000 8.784999\nLi Mn F\n4 4 12\ndirect\n-0.000000 0.250000 0.201786 Li\n-0.000000 0.750000 0.798214 Li\n0.500000 0.750000 0.701786 Li\n0.500000 0.250000 0.298214 Li\n-0.000000 0.750000 0.402996 Mn\n-0.000000 0.250000 0.597004 Mn\n0.500000 0.750000 0.097004 Mn\n0.500000 0.250000 0.902996 Mn\n0.250000 0.046949 0.750000 F\n0.250000 0.546949 0.250000 F\n0.279625 0.588141 0.908410 F\n0.279625 0.088141 0.091590 F\n0.720376 0.911859 0.908410 F\n0.779626 0.411859 0.408410 F\n0.750001 0.953051 0.250000 F\n0.750001 0.453051 0.750000 F\n0.220375 0.088141 0.408410 F\n0.779626 0.911859 0.591590 F\n0.720376 0.411859 0.091590 F\n0.220375 0.588141 0.591590 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4184733249518535,
"density_atomic": 0.08658951268948502,
"volume": 230.97485340656846,
"volume_molar": 6.954815396173604,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.414489617775862,
"spacegroup": 52
},
{
"id": "jvasp-71503",
"created_at": "2022-09-04T14:35:42.496207Z",
"updated_at": "2022-09-04T14:35:42.496233Z",
"structure_string": "Be1 Zn1 Sn1\n1.0\n1.628078 -2.819914 -0.000000\n1.628078 2.819914 0.000000\n0.000000 -0.000000 5.837590\nBe Zn Sn\n1 1 1\ndirect\n0.000000 0.000000 0.978644 Be\n0.333334 0.666667 0.712810 Zn\n0.666667 0.333334 0.308547 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Sn"
],
"chemical_system": "Be-Sn-Zn",
"density": 5.983107962109003,
"density_atomic": 0.05596887768627971,
"volume": 53.60121774847425,
"volume_molar": 10.75980260629074,
"formula_full": "Be1 Zn1 Sn1",
"formula_reduced": "BeZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4144663,
"spacegroup": 156
},
{
"id": "jvasp-1477",
"created_at": "2022-09-04T14:37:01.193775Z",
"updated_at": "2022-09-04T14:37:01.193799Z",
"structure_string": "Rb1 Ce1 Te2\n1.0\n4.482613 0.006275 7.651245\n2.081059 3.970270 7.651245\n0.010357 0.006275 8.867652\nRb Ce Te\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Rb\n0.000000 0.000000 0.000000 Ce\n0.264095 0.264094 0.264095 Te\n0.735906 0.735903 0.735905 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ce",
"Te"
],
"chemical_system": "Ce-Rb-Te",
"density": 5.076237880944118,
"density_atomic": 0.025433318727339716,
"volume": 157.27400906198582,
"volume_molar": 23.678155511519854,
"formula_full": "Rb1 Ce1 Te2",
"formula_reduced": "RbCeTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4143527583333333,
"spacegroup": 166
},
{
"id": "jvasp-81152",
"created_at": "2022-09-04T14:37:12.833642Z",
"updated_at": "2022-09-04T14:37:12.833651Z",
"structure_string": "Li2 Cu1 Ag1\n1.0\n-8.557834 0.000000 -4.940867\n-8.666861 -0.009305 5.129708\n-5.737178 8.277087 0.055350\nLi Cu Ag\n2 1 1\ndirect\n0.755388 -0.000000 -0.000000 Li\n0.244612 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Li",
"density": 0.42850076694306416,
"density_atomic": 0.005570523162786609,
"volume": 718.0654102152647,
"volume_molar": 108.10727438008665,
"formula_full": "Li2 Cu1 Ag1",
"formula_reduced": "Li2CuAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4142569275,
"spacegroup": 71
},
{
"id": "jvasp-116473",
"created_at": "2022-09-04T14:38:43.256823Z",
"updated_at": "2022-09-04T14:38:43.256852Z",
"structure_string": "Sm4 Ga4 Ni4\n1.0\n4.335996 -0.000000 0.000000\n0.000000 6.968804 0.000000\n0.000000 -0.000000 7.378017\nSm Ga Ni\n4 4 4\ndirect\n0.250000 0.023726 0.805967 Sm\n0.250000 0.523725 0.694033 Sm\n0.750001 0.976274 0.194033 Sm\n0.750001 0.476274 0.305967 Sm\n0.250000 0.172488 0.421008 Ga\n0.250000 0.672488 0.078992 Ga\n0.750001 0.827512 0.578992 Ga\n0.750001 0.327512 0.921008 Ga\n0.250000 0.792896 0.405320 Ni\n0.250000 0.292896 0.094680 Ni\n0.750001 0.207103 0.594680 Ni\n0.750001 0.707103 0.905321 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sm",
"density": 8.305739767402205,
"density_atomic": 0.053826293056920535,
"volume": 222.93937253509492,
"volume_molar": 11.18810235293683,
"formula_full": "Sm4 Ga4 Ni4",
"formula_reduced": "SmGaNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4142545333333333,
"spacegroup": 62
}
]
}