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=169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=167",
"results": [
{
"id": "jvasp-94149",
"created_at": "2022-09-04T14:35:59.150079Z",
"updated_at": "2022-09-04T14:35:59.150103Z",
"structure_string": "Mg6 Ga1 Co1\n1.0\n6.054808 -0.062477 0.000000\n-3.081511 5.337334 0.000000\n0.000000 0.000000 4.728174\nMg Ga Co\n6 1 1\ndirect\n0.670009 0.333031 0.250000 Mg\n0.670009 0.836976 0.250000 Mg\n0.321476 0.172515 0.749999 Mg\n0.321476 0.648960 0.749999 Mg\n0.849560 0.174779 0.749999 Mg\n0.837255 0.668627 0.749999 Mg\n0.166051 0.833024 0.250000 Ga\n0.164164 0.332081 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Mg",
"density": 3.000864697533426,
"density_atomic": 0.05267042188844881,
"volume": 151.88790431455584,
"volume_molar": 11.433629244045832,
"formula_full": "Mg6 Ga1 Co1",
"formula_reduced": "Mg6GaCo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"S",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb-S",
"density": 2.8498533462685978,
"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
"volume_molar": 17.391161565476963,
"formula_full": "Rb2 S1 Br1 Cl6",
"formula_reduced": "Rb2SBrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37573",
"created_at": "2022-09-04T14:37:54.866520Z",
"updated_at": "2022-09-04T14:37:54.866533Z",
"structure_string": "Tl6 Bi2 Cl12\n1.0\n8.969517 0.000000 0.000000\n-0.000000 8.969517 0.000000\n0.000000 0.000000 7.441974\nTl Bi Cl\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.266411 0.082168 0.000000 Tl\n0.733589 0.917833 0.000000 Tl\n0.082168 0.733589 0.500000 Tl\n0.917833 0.266411 0.500000 Tl\n0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.797579 0.934711 0.500000 Cl\n0.202421 0.065289 0.500000 Cl\n0.205768 0.434036 0.257576 Cl\n0.794232 0.565964 0.257576 Cl\n0.565964 0.205768 0.757576 Cl\n0.434036 0.794232 0.242423 Cl\n0.794232 0.565964 0.742423 Cl\n0.205768 0.434036 0.742423 Cl\n0.065289 0.797579 0.000000 Cl\n0.565964 0.205768 0.242423 Cl\n0.434036 0.794232 0.757576 Cl\n0.934711 0.202421 0.000000 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Tl",
"density": 5.740232994411016,
"density_atomic": 0.033404404393847446,
"volume": 598.7234426991812,
"volume_molar": 18.027984241231316,
"formula_full": "Tl6 Bi2 Cl12",
"formula_reduced": "Tl3BiCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 84
},
{
"id": "jvasp-99460",
"created_at": "2022-09-04T14:36:52.382701Z",
"updated_at": "2022-09-04T14:36:52.382722Z",
"structure_string": "K2 Eu1 Au1 Cl6\n1.0\n6.530362 -0.000000 3.770307\n2.176788 6.156885 3.770306\n-0.000000 -0.000000 7.540613\nK Eu Au Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.252931 0.747069 0.252931 Cl\n0.747070 0.747069 0.252931 Cl\n0.747069 0.252931 0.747070 Cl\n0.747069 0.252931 0.252931 Cl\n0.252931 0.747069 0.747070 Cl\n0.252931 0.252931 0.747069 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Eu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Eu-K",
"density": 3.504443335432288,
"density_atomic": 0.0329833717299041,
"volume": 303.18307303111715,
"volume_molar": 18.258111418427475,
"formula_full": "K2 Eu1 Au1 Cl6",
"formula_reduced": "K2EuAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108846",
"created_at": "2022-09-04T14:38:16.709704Z",
"updated_at": "2022-09-04T14:38:16.709734Z",
"structure_string": "Na2 Er1 Cu1 Cl6\n1.0\n6.197342 -0.000000 3.578037\n2.065781 5.842910 3.578037\n-0.000000 -0.000000 7.156075\nNa Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.745188 0.254811 0.254812 Cl\n0.254811 0.254811 0.745188 Cl\n0.254811 0.745188 0.745189 Cl\n0.254811 0.745188 0.254812 Cl\n0.745188 0.254811 0.745189 Cl\n0.745188 0.745188 0.254812 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Er",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Er-Na",
"density": 3.1368554195580405,
"density_atomic": 0.03859139309562554,
"volume": 259.12513640596023,
"volume_molar": 15.604880458908932,
"formula_full": "Na2 Er1 Cu1 Cl6",
"formula_reduced": "Na2ErCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-33812",
"created_at": "2022-09-04T14:38:06.461492Z",
"updated_at": "2022-09-04T14:38:06.461530Z",
"structure_string": "Nd2 I6\n1.0\n10.496974 0.000037 -0.000000\n-5.248456 9.090656 -0.000000\n-0.000000 -0.000000 4.134965\nNd I\n2 6\ndirect\n0.666666 0.333334 0.250000 Nd\n0.333333 0.666666 0.749998 Nd\n0.203293 0.406589 0.250000 I\n0.796705 0.203294 0.749998 I\n0.406590 0.203295 0.749998 I\n0.796706 0.593411 0.749998 I\n0.203295 0.796706 0.250000 I\n0.593410 0.796705 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"I"
],
"chemical_system": "I-Nd",
"density": 4.418444882627171,
"density_atomic": 0.020274862607990142,
"volume": 394.5772730833338,
"volume_molar": 29.70249849005994,
"formula_full": "Nd2 I6",
"formula_reduced": "NdI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-113042",
"created_at": "2022-09-04T14:38:46.065681Z",
"updated_at": "2022-09-04T14:38:46.065707Z",
"structure_string": "As2 Xe4 O2 F20\n1.0\n7.432884 0.092393 -4.294050\n-2.432699 7.024121 -4.294050\n-0.064917 -0.092393 8.583846\nAs Xe O F\n2 4 2 20\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 -0.000000 As\n0.499999 0.500000 0.500000 Xe\n-0.000000 0.000000 0.500000 Xe\n0.500000 -0.000000 -0.000000 Xe\n-0.000000 0.500000 -0.000000 Xe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.645408 0.645408 -0.000001 F\n0.760077 0.260077 0.716315 F\n0.239922 0.739922 0.283685 F\n0.456238 0.956239 0.716315 F\n0.260077 0.543761 0.500000 F\n0.956238 0.239922 0.500000 F\n0.354591 0.354592 -0.000000 F\n0.543761 0.043761 0.283685 F\n0.854591 0.854591 -0.000001 F\n0.313928 0.592911 0.906840 F\n0.407089 0.313929 0.721018 F\n0.592910 0.686071 0.278982 F\n0.739922 0.456238 0.500000 F\n0.907088 0.186071 0.093160 F\n0.686071 0.407089 0.093160 F\n0.092911 0.813929 0.906840 F\n0.813928 0.907089 0.721017 F\n0.186071 0.092911 0.278983 F\n0.145408 0.145408 -0.000000 F\n0.043761 0.760078 0.500000 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"As",
"Xe",
"O",
"F"
],
"chemical_system": "As-F-O-Xe",
"density": 4.063055268651624,
"density_atomic": 0.06302883586993499,
"volume": 444.24110985930673,
"volume_molar": 9.554580339112032,
"formula_full": "As2 Xe4 O2 F20",
"formula_reduced": "AsXe2OF10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-108934",
"created_at": "2022-09-04T14:38:17.640845Z",
"updated_at": "2022-09-04T14:38:17.640855Z",
"structure_string": "In1 Hg1 Te2\n1.0\n4.636070 -0.034142 6.556270\n2.058947 4.153920 6.556270\n-0.055485 -0.034142 8.029617\nIn Hg Te\n1 1 2\ndirect\n0.500470 0.500471 0.500469 In\n0.006469 0.006469 0.006469 Hg\n0.872888 0.872888 0.872885 Te\n0.370175 0.370175 0.370174 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Hg",
"Te"
],
"chemical_system": "Hg-In-Te",
"density": 6.02370157182676,
"density_atomic": 0.02542942179170994,
"volume": 157.29811054154644,
"volume_molar": 23.681784074080813,
"formula_full": "In1 Hg1 Te2",
"formula_reduced": "InHgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-121121",
"created_at": "2022-09-04T14:38:49.942424Z",
"updated_at": "2022-09-04T14:38:49.942439Z",
"structure_string": "I1 F2\n1.0\n4.589228 0.003867 0.595015\n-1.792100 -4.241025 -0.973095\n-0.134957 -2.800092 -3.244916\nI F\n1 2\ndirect\n0.097479 0.127460 0.895581 I\n0.790632 0.066144 0.258771 F\n0.404244 0.188689 0.532394 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 5.139874698478934,
"density_atomic": 0.05631196363565458,
"volume": 53.27464727407437,
"volume_molar": 10.694247494127538,
"formula_full": "I1 F2",
"formula_reduced": "IF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-8281",
"created_at": "2022-09-04T14:37:03.885709Z",
"updated_at": "2022-09-04T14:37:03.885735Z",
"structure_string": "Ca1 Bi1 F6\n1.0\n5.049288 0.228447 3.581086\n1.972686 4.653601 3.581085\n0.328583 0.228447 6.181546\nCa Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Bi\n0.401802 0.085677 0.754582 F\n0.085677 0.754581 0.401803 F\n0.245419 0.598198 0.914324 F\n0.914323 0.245420 0.598199 F\n0.598199 0.914324 0.245420 F\n0.754582 0.401802 0.085677 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"F"
],
"chemical_system": "Bi-Ca-F",
"density": 4.474209099235695,
"density_atomic": 0.05937342984109954,
"volume": 134.74040528583765,
"volume_molar": 10.14282108363453,
"formula_full": "Ca1 Bi1 F6",
"formula_reduced": "CaBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-23033",
"created_at": "2022-09-04T14:38:27.380562Z",
"updated_at": "2022-09-04T14:38:27.380575Z",
"structure_string": "Ba4 Ca4 Al4 F28\n1.0\n0.000000 5.378496 0.008176\n5.397450 0.000000 0.000000\n0.000000 -4.613393 -18.964103\nBa Ca Al F\n4 4 4 28\ndirect\n0.681470 0.761428 0.432515 Ba\n0.318531 0.761428 0.067484 Ba\n0.318531 0.238572 0.567484 Ba\n0.681470 0.238572 0.932515 Ba\n0.500000 0.321299 0.250000 Ca\n0.000000 0.794462 0.250000 Ca\n0.500001 0.678701 0.750000 Ca\n0.000000 0.205538 0.750000 Ca\n0.181513 0.774031 0.880525 Al\n0.818488 0.774031 0.619474 Al\n0.818488 0.225969 0.119474 Al\n0.181513 0.225969 0.380525 Al\n0.882465 0.138804 0.318754 F\n0.964304 0.407067 0.063681 F\n0.117536 0.861195 0.681245 F\n0.882465 0.861195 0.818754 F\n0.117536 0.138804 0.181245 F\n0.724617 0.361716 0.807698 F\n0.760772 0.486472 0.173693 F\n0.760772 0.513528 0.673693 F\n0.239229 0.513528 0.826306 F\n0.275384 0.361716 0.692301 F\n0.035697 0.407067 0.436319 F\n0.239229 0.486472 0.326306 F\n0.035697 0.592933 0.936319 F\n0.657399 0.969966 0.675771 F\n0.501744 0.718885 0.560350 F\n0.498257 0.718885 0.939649 F\n0.498257 0.281115 0.439649 F\n0.501744 0.281115 0.060350 F\n0.724617 0.638284 0.307698 F\n0.342602 0.969966 0.824229 F\n0.342602 0.030034 0.324229 F\n0.657399 0.030034 0.175771 F\n0.160624 0.951128 0.434260 F\n0.839377 0.951128 0.065740 F\n0.839377 0.048872 0.565740 F\n0.160624 0.048872 0.934260 F\n0.964304 0.592933 0.563681 F\n0.275384 0.638284 0.192301 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ba-Ca-F",
"density": 4.071939343563541,
"density_atomic": 0.07268400344622632,
"volume": 550.3274187365467,
"volume_molar": 8.285372949297365,
"formula_full": "Ba4 Ca4 Al4 F28",
"formula_reduced": "BaCaAlF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-110013",
"created_at": "2022-09-04T14:38:36.281138Z",
"updated_at": "2022-09-04T14:38:36.281157Z",
"structure_string": "Na2 Yb6\n1.0\n7.557725 0.000000 0.000000\n-3.778863 6.545182 0.000000\n-0.000000 -0.000000 6.165946\nYb Na\n6 2\ndirect\n0.668632 0.834315 0.250000 Yb\n0.165685 0.834315 0.250000 Yb\n0.834316 0.668631 0.750000 Yb\n0.331369 0.165685 0.750000 Yb\n0.834316 0.165685 0.750000 Yb\n0.165685 0.331369 0.250000 Yb\n0.333334 0.666666 0.750000 Na\n0.666667 0.333333 0.250000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Na"
],
"chemical_system": "Na-Yb",
"density": 5.902741944118241,
"density_atomic": 0.026228741767138544,
"volume": 305.0089123994136,
"volume_molar": 22.96008254404723,
"formula_full": "Na2 Yb6",
"formula_reduced": "NaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}