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=321",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=319",
"results": [
{
"id": "jvasp-109444",
"created_at": "2022-09-04T14:38:19.581478Z",
"updated_at": "2022-09-04T14:38:19.581500Z",
"structure_string": "K2 Al1 Tl1 Br6\n1.0\n6.848726 -0.000000 3.954114\n2.282909 6.457041 3.954114\n-0.000000 -0.000000 7.908227\nK Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775305 0.224696 0.224695 Br\n0.224696 0.224696 0.775304 Br\n0.224696 0.775304 0.775304 Br\n0.224696 0.775304 0.224695 Br\n0.775305 0.224696 0.775304 Br\n0.775305 0.775304 0.224695 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-K-Tl",
"density": 3.746240226716386,
"density_atomic": 0.028594172807407725,
"volume": 349.72160472532914,
"volume_molar": 21.060727304690133,
"formula_full": "K2 Al1 Tl1 Br6",
"formula_reduced": "K2AlTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28858",
"created_at": "2022-09-04T14:37:33.533488Z",
"updated_at": "2022-09-04T14:37:33.533515Z",
"structure_string": "Te6 W4 Se2\n1.0\n3.499385 -0.000000 0.000000\n-1.749693 3.030530 -0.000011\n0.000000 -0.000141 39.572347\nTe W Se\n6 4 2\ndirect\n0.333357 0.666715 0.704025 Te\n0.666634 0.333268 0.047447 Te\n0.666649 0.333299 0.422913 Te\n0.666647 0.333294 0.140657 Te\n0.666648 0.333297 0.516317 Te\n0.333357 0.666715 0.610871 Te\n0.333301 0.666602 0.093865 W\n0.333328 0.666657 0.469648 W\n0.666687 0.333377 0.281798 W\n0.666680 0.333360 0.657609 W\n0.333355 0.666713 0.322858 Se\n0.333352 0.666705 0.240743 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"W",
"Se"
],
"chemical_system": "Se-Te-W",
"density": 6.563899856841073,
"density_atomic": 0.028594277261357832,
"volume": 419.6643926446339,
"volume_molar": 21.06065037054912,
"formula_full": "Te6 W4 Se2",
"formula_reduced": "Te3W2Se",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.691517777777778,
"spacegroup": 156
},
{
"id": "jvasp-69274",
"created_at": "2022-09-04T14:36:15.203853Z",
"updated_at": "2022-09-04T14:36:15.203871Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n5.956701 -0.000000 0.000000\n0.000000 5.956701 0.000000\n-0.000000 0.000000 3.942091\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.2708910891435066,
"density_atomic": 0.02859708353244686,
"volume": 139.87440346710582,
"volume_molar": 21.058583659998583,
"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.24063699625,
"spacegroup": 123
},
{
"id": "jvasp-100889",
"created_at": "2022-09-04T14:37:01.516735Z",
"updated_at": "2022-09-04T14:37:01.516758Z",
"structure_string": "K3 Bi1 Cl6\n1.0\n6.848467 -0.000000 3.953965\n2.282822 6.456797 3.953965\n-0.000000 -0.000000 7.907929\nK Bi Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Bi\n0.758838 0.241162 0.241161 Cl\n0.241162 0.241162 0.758838 Cl\n0.241161 0.758839 0.758838 Cl\n0.241161 0.758839 0.241161 Cl\n0.758838 0.241162 0.758838 Cl\n0.758838 0.758839 0.241161 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-K",
"density": 2.559523980144564,
"density_atomic": 0.02859741242117981,
"volume": 349.6819870525699,
"volume_molar": 21.05834147267074,
"formula_full": "K3 Bi1 Cl6",
"formula_reduced": "K3BiCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65576",
"created_at": "2022-09-04T14:36:14.466230Z",
"updated_at": "2022-09-04T14:36:14.466245Z",
"structure_string": "Ba1 Na2 Mn1\n1.0\n4.152899 0.000000 0.000000\n0.000000 4.152899 0.000000\n0.000000 -0.000000 8.110162\nBa Na Mn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.188635 Na\n0.000000 0.000000 0.811365 Na\n0.500000 0.500000 0.000000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mn"
],
"chemical_system": "Ba-Mn-Na",
"density": 2.8283937305474036,
"density_atomic": 0.028597477300724594,
"volume": 139.87247748942698,
"volume_molar": 21.05829369728152,
"formula_full": "Ba1 Na2 Mn1",
"formula_reduced": "BaNa2Mn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7839603028448277,
"spacegroup": 123
},
{
"id": "jvasp-29024",
"created_at": "2022-09-04T14:35:42.890358Z",
"updated_at": "2022-09-04T14:35:42.890392Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.568961 0.000000 0.000003\n-1.784481 3.090813 -0.000016\n0.000034 -0.000179 38.037223\nTe Mo W\n8 2 2\ndirect\n0.333343 0.666694 0.329831 Te\n0.333356 0.666719 0.704631 Te\n0.666658 0.333312 0.046961 Te\n0.666654 0.333298 0.421829 Te\n0.666643 0.333283 0.142173 Te\n0.666669 0.333337 0.517087 Te\n0.333335 0.666674 0.234227 Te\n0.333337 0.666678 0.609091 Te\n0.333317 0.666631 0.094525 Mo\n0.333328 0.666651 0.469458 Mo\n0.666672 0.333351 0.282028 W\n0.666680 0.333366 0.656905 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.254344384100381,
"density_atomic": 0.02859946512611106,
"volume": 419.58826667160656,
"volume_molar": 21.056830026173593,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235509494444445,
"spacegroup": 156
},
{
"id": "jvasp-29109",
"created_at": "2022-09-04T14:36:19.706592Z",
"updated_at": "2022-09-04T14:36:19.706620Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569018 0.000000 0.000000\n-1.784509 3.090837 -0.000021\n0.000000 -0.000268 38.032257\nTe Mo W\n8 2 2\ndirect\n0.333347 0.666694 0.329536 Te\n0.333356 0.666713 0.704784 Te\n0.666655 0.333309 0.047074 Te\n0.666650 0.333298 0.421515 Te\n0.666647 0.333292 0.142301 Te\n0.666668 0.333335 0.517121 Te\n0.333324 0.666648 0.234261 Te\n0.333356 0.666713 0.609237 Te\n0.333316 0.666631 0.094642 Mo\n0.666670 0.333339 0.281902 Mo\n0.333324 0.666648 0.469322 W\n0.666691 0.333382 0.657052 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.255012565444859,
"density_atomic": 0.028602520542935866,
"volume": 419.5434448508319,
"volume_molar": 21.05458066522506,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.235511161111112,
"spacegroup": 156
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-105418",
"created_at": "2022-09-04T14:36:47.088601Z",
"updated_at": "2022-09-04T14:36:47.088626Z",
"structure_string": "Pr2 Nd2\n1.0\n3.689599 0.000000 0.000000\n-1.844800 3.195286 0.000000\n-0.000000 -0.000000 11.858844\nPr Nd\n2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666667 0.250000 Nd\n0.666667 0.333334 0.750000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Nd"
],
"chemical_system": "Nd-Pr",
"density": 6.773617603788118,
"density_atomic": 0.02861071628776167,
"volume": 139.80775454094498,
"volume_molar": 21.048549429627496,
"formula_full": "Pr2 Nd2",
"formula_reduced": "PrNd",
"formula_anonymous": "AB",
"energy_above_hull": 1.0989656750000003,
"spacegroup": 194
},
{
"id": "jvasp-40842",
"created_at": "2022-09-04T14:37:54.687911Z",
"updated_at": "2022-09-04T14:37:54.687933Z",
"structure_string": "Ba1 Na1 Sb1\n1.0\n4.583872 0.000000 2.646500\n1.527957 4.321718 2.646500\n0.000000 0.000000 5.293001\nBa Na Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sb"
],
"chemical_system": "Ba-Na-Sb",
"density": 4.467098568013883,
"density_atomic": 0.028610824397205692,
"volume": 104.85541969538627,
"volume_molar": 21.048469895149747,
"formula_full": "Ba1 Na1 Sb1",
"formula_reduced": "BaNaSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.027065345,
"spacegroup": 216
},
{
"id": "jvasp-116180",
"created_at": "2022-09-04T14:38:41.730563Z",
"updated_at": "2022-09-04T14:38:41.730591Z",
"structure_string": "I2 N1\n1.0\n3.908022 0.000000 0.000000\n0.000000 3.711599 0.000000\n0.000000 0.000000 7.228655\nI N\n2 1\ndirect\n0.039643 0.000000 0.760768 I\n0.039643 0.000000 0.239231 I\n0.320713 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 4.241402482658013,
"density_atomic": 0.02861183474483442,
"volume": 104.85171701691098,
"volume_molar": 21.047726626784172,
"formula_full": "I2 N1",
"formula_reduced": "I2N",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6896052666666663,
"spacegroup": 25
},
{
"id": "jvasp-28855",
"created_at": "2022-09-04T14:37:30.819720Z",
"updated_at": "2022-09-04T14:37:30.819743Z",
"structure_string": "Te8 Mo2 W2\n1.0\n3.569117 -0.000000 0.000000\n-1.784559 3.091027 -0.000015\n0.000000 -0.000180 38.011375\nTe Mo W\n8 2 2\ndirect\n0.333339 0.666679 0.329743 Te\n0.333349 0.666700 0.704741 Te\n0.666652 0.333301 0.046717 Te\n0.666662 0.333322 0.421715 Te\n0.666659 0.333316 0.142317 Te\n0.666664 0.333327 0.517039 Te\n0.333337 0.666674 0.234419 Te\n0.333342 0.666685 0.609141 Te\n0.333333 0.666666 0.469381 Mo\n0.666668 0.333335 0.282077 Mo\n0.333325 0.666648 0.094471 W\n0.666676 0.333353 0.656987 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.257890548934835,
"density_atomic": 0.02861568080137388,
"volume": 419.35049818643006,
"volume_molar": 21.04489773212339,
"formula_full": "Te8 Mo2 W2",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2355044944444447,
"spacegroup": 164
}
]
}