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=480",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=478",
"results": [
{
"id": "jvasp-30605",
"created_at": "2022-09-04T14:37:31.854902Z",
"updated_at": "2022-09-04T14:37:31.854910Z",
"structure_string": "Sn2 F8\n1.0\n5.074359 -0.000407 -2.344168\n-1.435850 3.919504 -3.108683\n0.348793 -0.687022 7.416699\nSn F\n2 8\ndirect\n0.942832 0.499264 -0.001274 Sn\n0.554089 -0.000734 -0.001259 Sn\n0.955656 0.384841 0.219008 F\n0.541249 0.113710 0.778471 F\n0.214740 0.574022 0.738296 F\n0.021812 0.074000 0.738276 F\n0.282200 0.924494 0.259219 F\n0.475116 0.424477 0.259249 F\n0.761505 0.884908 0.219053 F\n0.735444 0.613652 0.778428 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.7006346020152625,
"density_atomic": 0.07269480734680311,
"volume": 137.56140727209407,
"volume_molar": 8.284141577362382,
"formula_full": "Sn2 F8",
"formula_reduced": "SnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.011606,
"spacegroup": 15
},
{
"id": "jvasp-12193",
"created_at": "2022-09-04T14:37:10.448202Z",
"updated_at": "2022-09-04T14:37:10.448226Z",
"structure_string": "Sn2 F8\n1.0\n5.074319 -0.002322 -2.346086\n-1.437427 3.915101 -3.113842\n0.346627 -0.676801 7.419598\nSn F\n2 8\ndirect\n0.942796 0.499249 -0.001264 Sn\n0.554118 -0.000734 -0.001274 Sn\n0.955813 0.384844 0.219027 F\n0.541107 0.113631 0.778419 F\n0.214576 0.574106 0.738269 F\n0.021643 0.074130 0.738302 F\n0.282321 0.924472 0.259278 F\n0.475374 0.424451 0.259258 F\n0.761577 0.884759 0.218968 F\n0.735325 0.613734 0.778487 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.699776497065509,
"density_atomic": 0.07268153684626709,
"volume": 137.58652381211445,
"volume_molar": 8.285654130756448,
"formula_full": "Sn2 F8",
"formula_reduced": "SnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0116299999999999,
"spacegroup": 15
},
{
"id": "jvasp-11274",
"created_at": "2022-09-04T14:38:28.883880Z",
"updated_at": "2022-09-04T14:38:28.883909Z",
"structure_string": "Sn2 F8\n1.0\n-5.590358 0.007138 -0.020428\n-0.008967 -5.088183 1.093532\n2.786751 1.146589 4.600173\nSn F\n2 8\ndirect\n0.057161 0.500462 0.001226 Sn\n0.445912 0.000563 0.001281 Sn\n0.044088 0.165883 0.780921 F\n0.458986 0.335152 0.221574 F\n0.785517 0.835701 0.261734 F\n0.978466 0.335675 0.261644 F\n0.717557 0.665334 0.740782 F\n0.524598 0.165362 0.740861 F\n0.238316 0.665837 0.781061 F\n0.264754 0.835193 0.221444 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.699561974796909,
"density_atomic": 0.07267821928251075,
"volume": 137.5928042640747,
"volume_molar": 8.286032348413858,
"formula_full": "Sn2 F8",
"formula_reduced": "SnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0116299999999999,
"spacegroup": 15
},
{
"id": "jvasp-4062",
"created_at": "2022-09-04T14:36:19.190633Z",
"updated_at": "2022-09-04T14:36:19.190659Z",
"structure_string": "Ca3 P1 Cl3\n1.0\n5.666117 0.000000 0.000000\n0.000000 5.666117 0.000000\n0.000000 0.000000 5.666117\nCa P Cl\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"P",
"Cl"
],
"chemical_system": "Ca-Cl-P",
"density": 2.351160633711698,
"density_atomic": 0.03848056374344213,
"volume": 181.91001687684323,
"volume_molar": 15.649824675518936,
"formula_full": "Ca3 P1 Cl3",
"formula_reduced": "Ca3PCl3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0116612803571428,
"spacegroup": 221
},
{
"id": "jvasp-25371",
"created_at": "2022-09-04T14:37:53.908847Z",
"updated_at": "2022-09-04T14:37:53.908884Z",
"structure_string": "Tl3\n1.0\n-1.776067 3.076240 -0.000000\n3.552135 -0.000000 0.000000\n1.776067 -1.025414 -8.385064\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.778796 0.221206 0.336383 Tl\n0.221206 0.778796 0.663617 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.112191051780266,
"density_atomic": 0.03274199931646032,
"volume": 91.62543713363942,
"volume_molar": 18.392709320510253,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0116625999999999,
"spacegroup": 166
},
{
"id": "jvasp-25307",
"created_at": "2022-09-04T14:37:47.311609Z",
"updated_at": "2022-09-04T14:37:47.311633Z",
"structure_string": "N4\n1.0\n3.604492 -0.000000 -0.000000\n-1.802246 3.121581 -0.000000\n-0.000000 0.000000 7.432459\nN\n4\ndirect\n0.333332 0.666667 0.324664 N\n0.333332 0.666667 0.175336 N\n0.666666 0.333333 0.824664 N\n0.666666 0.333333 0.675336 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.112483859939323,
"density_atomic": 0.04783092662867017,
"volume": 83.62790106605156,
"volume_molar": 12.590474792077915,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy_above_hull": 0.0116932499999995,
"spacegroup": 194
},
{
"id": "jvasp-99752",
"created_at": "2022-09-04T14:36:11.137664Z",
"updated_at": "2022-09-04T14:36:11.137682Z",
"structure_string": "Ba3 Yb1\n1.0\n5.424813 -0.060812 -5.027018\n-1.075106 5.317560 -5.027018\n0.050319 0.060812 7.395740\nYb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.499999 Ba\n0.249999 0.750000 0.499999 Ba\n0.499999 0.500000 -0.000001 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 4.493144651046442,
"density_atomic": 0.01850077146153286,
"volume": 216.20720024118305,
"volume_molar": 32.550754829447754,
"formula_full": "Ba3 Yb1",
"formula_reduced": "Ba3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0117275,
"spacegroup": 139
},
{
"id": "jvasp-4219",
"created_at": "2022-09-04T14:37:42.398033Z",
"updated_at": "2022-09-04T14:37:42.398050Z",
"structure_string": "Al4 I12\n1.0\n0.000000 9.610161 -0.083708\n6.036528 0.000000 0.000000\n0.000000 -3.759411 -11.304149\nAl I\n4 12\ndirect\n0.196664 0.001485 0.048784 Al\n0.803336 0.501485 0.451216 Al\n0.803336 0.998515 0.951216 Al\n0.196664 0.498515 0.548784 Al\n0.331992 0.748953 0.211820 I\n0.668008 0.248952 0.288180 I\n0.668008 0.251048 0.788180 I\n0.331992 0.751048 0.711820 I\n0.330212 0.255362 0.951962 I\n0.669788 0.755362 0.548038 I\n0.669788 0.744638 0.048038 I\n0.330212 0.244638 0.451962 I\n0.000689 0.768649 0.881097 I\n0.999311 0.268648 0.618903 I\n0.999311 0.231352 0.118903 I\n0.000689 0.731352 0.381097 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"I"
],
"chemical_system": "Al-I",
"density": 4.11748872185753,
"density_atomic": 0.02432808819874354,
"volume": 657.676010925772,
"volume_molar": 24.75385945168935,
"formula_full": "Al4 I12",
"formula_reduced": "AlI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.01174290625,
"spacegroup": 14
},
{
"id": "jvasp-120080",
"created_at": "2022-09-04T14:38:38.123442Z",
"updated_at": "2022-09-04T14:38:38.123460Z",
"structure_string": "Ga2 Te2 Cl2\n1.0\n7.112578 -2.074867 0.551151\n7.112578 2.074867 0.551151\n-3.129213 0.000000 5.857408\nGa Te Cl\n2 2 2\ndirect\n0.318653 0.318653 0.409096 Ga\n0.681347 0.681347 0.590904 Ga\n0.884343 0.884343 0.688439 Te\n0.115657 0.115657 0.311561 Te\n0.372546 0.372546 0.141305 Cl\n0.627455 0.627455 0.858695 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Te",
"Cl"
],
"chemical_system": "Cl-Ga-Te",
"density": 4.293861403249862,
"density_atomic": 0.03332590703067049,
"volume": 180.0401109706656,
"volume_molar": 18.07044817852281,
"formula_full": "Ga2 Te2 Cl2",
"formula_reduced": "GaTeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0117566666666666,
"spacegroup": 12
},
{
"id": "jvasp-5230",
"created_at": "2022-09-04T14:36:41.459591Z",
"updated_at": "2022-09-04T14:36:41.459609Z",
"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 4.0680735519200715,
"density_atomic": 0.027945537750626248,
"volume": 715.677765032516,
"volume_molar": 21.549561199140086,
"formula_full": "Sn4 Br16",
"formula_reduced": "SnBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0117636419999998,
"spacegroup": 14
},
{
"id": "jvasp-949",
"created_at": "2022-09-04T14:37:47.113068Z",
"updated_at": "2022-09-04T14:37:47.113085Z",
"structure_string": "O8\n1.0\n3.904091 -0.090798 1.440142\n1.363982 4.664962 1.663912\n-0.026867 -0.053990 5.136855\nO\n8\ndirect\n0.837157 0.283635 0.779030 O\n0.162842 0.220970 0.716365 O\n0.162842 0.716364 0.220971 O\n0.837157 0.779029 0.283636 O\n0.820322 0.218165 0.218165 O\n0.179677 0.781834 0.781835 O\n0.146272 0.155382 0.155382 O\n0.853727 0.844617 0.844619 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.2462577873151153,
"density_atomic": 0.0845486742198614,
"volume": 94.62005257701266,
"volume_molar": 7.122690941717137,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy_above_hull": 0.0117799999999999,
"spacegroup": 12
},
{
"id": "jvasp-25096",
"created_at": "2022-09-04T14:37:46.702169Z",
"updated_at": "2022-09-04T14:37:46.702194Z",
"structure_string": "Ac1\n1.0\n3.454250 0.000000 1.994312\n1.151416 3.256699 1.994312\n0.000000 -0.000000 3.988625\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.40079448920145,
"density_atomic": 0.02228668146576499,
"volume": 44.86984756057647,
"volume_molar": 27.021253788953413,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy_above_hull": 0.0118099999999999,
"spacegroup": 225
}
]
}