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=updated_at&page=206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=204",
"results": [
{
"id": "jvasp-89095",
"created_at": "2022-09-04T14:35:47.465874Z",
"updated_at": "2022-09-04T14:35:47.465905Z",
"structure_string": "Ca4 Yb8 O16\n1.0\n3.401194 -0.000000 0.000000\n-0.000000 9.141648 0.000000\n0.000000 0.000000 11.692148\nYb Ca O\n8 4 16\ndirect\n0.250000 0.563709 0.888683 Yb\n0.250000 0.063709 0.611317 Yb\n0.749999 0.936291 0.388683 Yb\n0.749999 0.892717 0.898936 Yb\n0.250000 0.107283 0.101064 Yb\n0.749999 0.392717 0.601064 Yb\n0.250000 0.607283 0.398936 Yb\n0.749999 0.436291 0.111317 Yb\n0.250000 0.763831 0.156336 Ca\n0.749999 0.236169 0.843664 Ca\n0.250000 0.263831 0.343664 Ca\n0.749999 0.736170 0.656336 Ca\n0.250000 0.777806 0.798737 O\n0.749999 0.222194 0.201263 O\n0.250000 0.569813 0.591604 O\n0.749999 0.657021 0.010558 O\n0.250000 0.342980 0.989442 O\n0.749999 0.157020 0.489442 O\n0.250000 0.842980 0.510558 O\n0.749999 0.492636 0.779369 O\n0.250000 0.507364 0.220631 O\n0.749999 0.992637 0.720631 O\n0.250000 0.007364 0.279369 O\n0.749999 0.930187 0.091604 O\n0.250000 0.069813 0.908396 O\n0.749999 0.430187 0.408396 O\n0.749999 0.722194 0.298737 O\n0.250000 0.277806 0.701264 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"O"
],
"chemical_system": "Ca-O-Yb",
"density": 8.224727974229886,
"density_atomic": 0.0770207650720042,
"volume": 363.5383259803212,
"volume_molar": 7.81885346681521,
"formula_full": "Ca4 Yb8 O16",
"formula_reduced": "CaYb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8426665457142855,
"spacegroup": 62
},
{
"id": "jvasp-88791",
"created_at": "2022-09-04T14:35:47.473277Z",
"updated_at": "2022-09-04T14:35:47.473304Z",
"structure_string": "Ba2 Cu2 Te2 F2\n1.0\n4.464864 0.000000 0.000000\n0.000000 4.464864 -0.000000\n-0.000000 0.000000 9.374175\nBa Cu Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.658180 Ba\n0.250000 0.250000 0.341819 Ba\n0.749999 0.250000 0.000000 Cu\n0.250000 0.749999 0.000000 Cu\n0.250000 0.250000 0.836994 Te\n0.749999 0.749999 0.163006 Te\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Te",
"F"
],
"chemical_system": "Ba-Cu-F-Te",
"density": 6.1751659727837405,
"density_atomic": 0.04280953007912716,
"volume": 186.87427741470577,
"volume_molar": 14.067290037683088,
"formula_full": "Ba2 Cu2 Te2 F2",
"formula_reduced": "BaCuTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-67619",
"created_at": "2022-09-04T14:35:47.474182Z",
"updated_at": "2022-09-04T14:35:47.474204Z",
"structure_string": "Be1 V1 Fe1\n1.0\n-1.231854 1.231854 5.360313\n1.231854 -1.231854 5.360313\n1.231854 1.231854 -5.360313\nBe V Fe\n1 1 1\ndirect\n0.992599 0.992599 0.000000 Be\n0.657658 0.657658 0.000000 V\n0.349743 0.349743 0.000000 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"V",
"Fe"
],
"chemical_system": "Be-Fe-V",
"density": 5.909953945444228,
"density_atomic": 0.09220461047272155,
"volume": 32.53633397093024,
"volume_molar": 6.531279432910388,
"formula_full": "Be1 V1 Fe1",
"formula_reduced": "BeVFe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.829355266666667,
"spacegroup": 107
},
{
"id": "jvasp-66035",
"created_at": "2022-09-04T14:35:47.475234Z",
"updated_at": "2022-09-04T14:35:47.475252Z",
"structure_string": "Ba1 Sc1 Cl1\n1.0\n-0.000000 4.036821 4.036821\n4.036821 0.000000 4.036821\n4.036821 4.036821 0.000000\nBa Sc Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Cl"
],
"chemical_system": "Ba-Cl-Sc",
"density": 2.748088339025994,
"density_atomic": 0.02280199162219264,
"volume": 131.5674547077796,
"volume_molar": 26.410591056172446,
"formula_full": "Ba1 Sc1 Cl1",
"formula_reduced": "BaScCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7493884291666666,
"spacegroup": 216
},
{
"id": "jvasp-1288",
"created_at": "2022-09-04T14:35:47.475728Z",
"updated_at": "2022-09-04T14:35:47.475750Z",
"structure_string": "Li2 S1\n1.0\n3.472562 -0.000000 2.004885\n1.157521 3.273963 2.004885\n-0.000000 -0.000000 4.009769\nLi S\n2 1\ndirect\n0.250000 0.250000 0.250001 Li\n0.750000 0.749999 0.750003 Li\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.673644167783192,
"density_atomic": 0.06580791410120247,
"volume": 45.58722215973083,
"volume_molar": 9.151088956776341,
"formula_full": "Li2 S1",
"formula_reduced": "Li2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4777366666666668,
"spacegroup": 225
},
{
"id": "jvasp-88311",
"created_at": "2022-09-04T14:35:47.476502Z",
"updated_at": "2022-09-04T14:35:47.476529Z",
"structure_string": "Na8 P4 H4 O16\n1.0\n4.871065 0.000000 -2.402251\n0.000000 6.848046 0.000000\n0.045122 0.000000 10.959781\nNa P H O\n8 4 4 16\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.390431 0.264349 0.891439 Na\n0.609569 0.764349 0.608561 Na\n0.609569 0.735652 0.108561 Na\n0.390431 0.235652 0.391439 Na\n0.661199 0.248049 0.691381 P\n0.338801 0.748050 0.808619 P\n0.338802 0.751951 0.308620 P\n0.661199 0.251951 0.191381 P\n0.960856 0.005051 0.237201 H\n0.039145 0.505052 0.262799 H\n0.039145 0.994949 0.762799 H\n0.960856 0.494949 0.737201 H\n0.215678 0.555145 0.345340 O\n0.784323 0.055145 0.154660 O\n0.788818 0.425087 0.146932 O\n0.211182 0.925087 0.353069 O\n0.211182 0.574914 0.853069 O\n0.788818 0.074913 0.646931 O\n0.760127 0.250584 0.345287 O\n0.239874 0.750585 0.154713 O\n0.760126 0.249416 0.845287 O\n0.352224 0.244009 0.105128 O\n0.647777 0.744009 0.394872 O\n0.647777 0.755992 0.894872 O\n0.352224 0.255991 0.605128 O\n0.215678 0.944856 0.845340 O\n0.239874 0.749416 0.654713 O\n0.784322 0.444856 0.654660 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.5739385023445998,
"density_atomic": 0.08735275612515586,
"volume": 366.3307423769384,
"volume_molar": 6.894047797841313,
"formula_full": "Na8 P4 H4 O16",
"formula_reduced": "Na2PHO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7408809375,
"spacegroup": 14
},
{
"id": "jvasp-87849",
"created_at": "2022-09-04T14:35:47.481664Z",
"updated_at": "2022-09-04T14:35:47.481692Z",
"structure_string": "Cr10 S12\n1.0\n6.006171 -0.000000 -0.000000\n-3.003085 5.201497 0.000000\n-0.000000 0.000000 11.248917\nCr S\n10 12\ndirect\n0.000000 0.000000 0.250000 Cr\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.989827 Cr\n0.333333 0.666667 0.510174 Cr\n0.666667 0.333333 0.010173 Cr\n0.666667 0.333333 0.489827 Cr\n0.000000 0.000000 0.750000 Cr\n0.009674 0.337489 0.377490 S\n0.672186 0.662512 0.877490 S\n0.009674 0.672187 0.122510 S\n0.662511 0.990326 0.122510 S\n0.327813 0.337489 0.122510 S\n0.672187 0.009675 0.622510 S\n0.990325 0.662512 0.622510 S\n0.337489 0.327813 0.622510 S\n0.990325 0.327813 0.877490 S\n0.337489 0.009675 0.877490 S\n0.662511 0.672187 0.377490 S\n0.327813 0.990326 0.377490 S\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.275004848998931,
"density_atomic": 0.0626016706553058,
"volume": 351.4283208372394,
"volume_molar": 9.619776432419531,
"formula_full": "Cr10 S12",
"formula_reduced": "Cr5S6",
"formula_anonymous": "A5B6",
"energy_above_hull": 3.823944272727273,
"spacegroup": 163
},
{
"id": "jvasp-94282",
"created_at": "2022-09-04T14:35:47.482858Z",
"updated_at": "2022-09-04T14:35:47.482870Z",
"structure_string": "Zn3 Te3\n1.0\n-2.167402 -3.754050 0.000000\n-2.167402 3.754050 -0.000000\n0.000000 -0.000000 -9.802098\nZn Te\n3 3\ndirect\n0.499706 0.499706 0.666633 Zn\n0.500293 -0.000000 0.999967 Zn\n-0.000000 0.500293 0.333300 Zn\n0.499852 0.499852 0.166633 Te\n0.500148 -0.000000 0.499967 Te\n-0.000000 0.500148 0.833300 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.027807221517951,
"density_atomic": 0.03761514082210696,
"volume": 159.51023627362613,
"volume_molar": 16.009884925010578,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.06408,
"spacegroup": 181
},
{
"id": "jvasp-85712",
"created_at": "2022-09-04T14:35:47.487165Z",
"updated_at": "2022-09-04T14:35:47.487188Z",
"structure_string": "Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "C-Ca-Cl-H-O",
"density": 2.4259328155572826,
"density_atomic": 0.08496514734393705,
"volume": 188.31250813033196,
"volume_molar": 7.087777692684397,
"formula_full": "Ca2 H4 C2 Cl2 O6",
"formula_reduced": "CaH2CClO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 2.4127743734375,
"spacegroup": 12
},
{
"id": "jvasp-75646",
"created_at": "2022-09-04T14:35:47.493798Z",
"updated_at": "2022-09-04T14:35:47.493824Z",
"structure_string": "Ti1 As1 Au1\n1.0\n-0.000000 3.122564 3.122564\n3.122564 0.000000 3.122564\n3.122564 3.122564 0.000000\nTi As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"As",
"Au"
],
"chemical_system": "As-Au-Ti",
"density": 8.719721823843704,
"density_atomic": 0.04926712433791261,
"volume": 60.892533110389095,
"volume_molar": 12.223446854124127,
"formula_full": "Ti1 As1 Au1",
"formula_reduced": "TiAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.949749217777777,
"spacegroup": 216
},
{
"id": "jvasp-86524",
"created_at": "2022-09-04T14:35:47.495848Z",
"updated_at": "2022-09-04T14:35:47.495873Z",
"structure_string": "Sc2 Re4 O12\n1.0\n4.852404 0.000000 0.000000\n0.000000 5.621490 -0.754726\n0.000000 -0.024297 7.561083\nSc Re O\n2 4 12\ndirect\n0.500000 -0.000000 0.500000 Sc\n0.000000 0.500000 0.499999 Sc\n0.008832 0.870631 0.848991 Re\n0.991167 0.129368 0.151008 Re\n0.491168 0.370631 0.848991 Re\n0.508832 0.629368 0.151008 Re\n0.821956 0.824367 0.616782 O\n0.732560 0.657169 0.930330 O\n0.716686 0.922869 0.248424 O\n0.321956 0.675632 0.383217 O\n0.216686 0.577130 0.751575 O\n0.783313 0.422869 0.248424 O\n0.178043 0.175632 0.383217 O\n0.232560 0.842831 0.069669 O\n0.767439 0.157169 0.930330 O\n0.678043 0.324367 0.616782 O\n0.283313 0.077130 0.751575 O\n0.267439 0.342831 0.069669 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"Re",
"O"
],
"chemical_system": "O-Re-Sc",
"density": 8.26992299629384,
"density_atomic": 0.08731070833827498,
"volume": 206.16027910644289,
"volume_molar": 6.897367888332701,
"formula_full": "Sc2 Re4 O12",
"formula_reduced": "Sc(ReO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.817061361111112,
"spacegroup": 14
},
{
"id": "jvasp-66410",
"created_at": "2022-09-04T14:35:47.498334Z",
"updated_at": "2022-09-04T14:35:47.498364Z",
"structure_string": "Ba1 La1 Sc1\n1.0\n0.000000 3.867549 3.867549\n3.867549 0.000000 3.867549\n3.867549 3.867549 0.000000\nBa La Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"La",
"Sc"
],
"chemical_system": "Ba-La-Sc",
"density": 4.609687188014721,
"density_atomic": 0.025928881620058006,
"volume": 115.70109517100293,
"volume_molar": 23.2256093735312,
"formula_full": "Ba1 La1 Sc1",
"formula_reduced": "BaLaSc",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5496420733333331,
"spacegroup": 216
}
]
}