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=48",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=46",
"results": [
{
"id": "jvasp-94081",
"created_at": "2022-09-04T14:35:43.504591Z",
"updated_at": "2022-09-04T14:35:43.504619Z",
"structure_string": "Mg6 V1 Sn1\n1.0\n6.254189 0.034223 0.000000\n-3.097457 5.433398 0.000000\n0.000000 0.000000 5.016328\nMg V Sn\n6 1 1\ndirect\n0.164079 0.825920 0.250000 Mg\n0.674080 0.335920 0.250000 Mg\n0.665253 0.834747 0.250000 Mg\n0.328686 0.658412 0.750000 Mg\n0.841588 0.171314 0.750000 Mg\n0.830924 0.669075 0.750000 Mg\n0.168121 0.331879 0.250000 V\n0.327267 0.172733 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Sn"
],
"chemical_system": "Mg-Sn-V",
"density": 3.063669329545871,
"density_atomic": 0.04678524211656388,
"volume": 170.99409211281338,
"volume_molar": 12.871881147897101,
"formula_full": "Mg6 V1 Sn1",
"formula_reduced": "Mg6VSn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94732",
"created_at": "2022-09-04T14:35:43.584720Z",
"updated_at": "2022-09-04T14:35:43.584740Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.705870 -1.796059 0.000000\n-4.908367 8.501539 0.000000\n0.000000 0.000000 3.862926\nCa Mg V\n1 6 1\ndirect\n0.249970 0.374984 0.250000 Ca\n0.750081 0.375049 0.250000 Mg\n0.750080 0.875032 0.250000 Mg\n0.250056 0.099333 0.750001 Mg\n0.250056 0.650724 0.750001 Mg\n0.698535 0.099267 0.750001 Mg\n0.801336 0.650669 0.750001 Mg\n0.249884 0.874941 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"V"
],
"chemical_system": "Ca-Mg-V",
"density": 2.1125534922538014,
"density_atomic": 0.042971066429199796,
"volume": 186.17178173087697,
"volume_molar": 14.01440843904172,
"formula_full": "Ca1 Mg6 V1",
"formula_reduced": "CaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65672",
"created_at": "2022-09-04T14:35:44.559083Z",
"updated_at": "2022-09-04T14:35:44.559111Z",
"structure_string": "Ba2 Hg1 Cl1\n1.0\n0.000000 4.114289 4.114289\n4.114289 0.000000 4.114289\n4.114289 4.114289 0.000000\nBa Hg Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Cl"
],
"chemical_system": "Ba-Cl-Hg",
"density": 6.088327766667874,
"density_atomic": 0.028717432698105477,
"volume": 139.28821709274467,
"volume_molar": 20.97033123854866,
"formula_full": "Ba2 Hg1 Cl1",
"formula_reduced": "Ba2HgCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96987",
"created_at": "2022-09-04T14:35:45.693751Z",
"updated_at": "2022-09-04T14:35:45.693782Z",
"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-K",
"density": 3.351721330365504,
"density_atomic": 0.03913729924680714,
"volume": 511.02146507034774,
"volume_molar": 15.387215970175287,
"formula_full": "K4 Cd4 Cl12",
"formula_reduced": "KCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-94731",
"created_at": "2022-09-04T14:35:41.445406Z",
"updated_at": "2022-09-04T14:35:41.445427Z",
"structure_string": "Li1 Ca1 Mg6\n1.0\n6.708491 0.147425 0.000000\n-3.226572 5.588586 0.000000\n0.000000 0.000000 5.194372\nLi Ca Mg\n1 1 6\ndirect\n0.182400 0.841200 0.250000 Li\n0.147372 0.323686 0.250000 Ca\n0.650698 0.324785 0.250000 Mg\n0.650698 0.825914 0.250000 Mg\n0.345213 0.167908 0.750000 Mg\n0.345213 0.677307 0.750000 Mg\n0.818230 0.159116 0.750000 Mg\n0.860179 0.680091 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Mg"
],
"chemical_system": "Ca-Li-Mg",
"density": 1.6237945877234747,
"density_atomic": 0.040565290257045666,
"volume": 197.2129362148593,
"volume_molar": 14.845550769734805,
"formula_full": "Li1 Ca1 Mg6",
"formula_reduced": "LiCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-1333",
"created_at": "2022-09-04T14:35:53.196715Z",
"updated_at": "2022-09-04T14:35:53.196734Z",
"structure_string": "Ca1 S1\n1.0\n3.480036 -0.000000 2.009200\n1.160012 3.281010 2.009200\n0.000000 0.000000 4.018400\nCa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"S"
],
"chemical_system": "Ca-S",
"density": 2.610951711117,
"density_atomic": 0.04358986659091843,
"volume": 45.88222347110103,
"volume_molar": 13.81546040623731,
"formula_full": "Ca1 S1",
"formula_reduced": "CaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3783",
"created_at": "2022-09-04T14:36:03.516159Z",
"updated_at": "2022-09-04T14:36:03.516191Z",
"structure_string": "Ca3 As1 Br3\n1.0\n5.898946 0.000000 0.000000\n0.000000 5.898946 0.000000\n0.000000 0.000000 5.898946\nCa As Br\n3 1 3\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"As",
"Br"
],
"chemical_system": "As-Br-Ca",
"density": 3.5178951178126243,
"density_atomic": 0.03410160175187553,
"volume": 205.26895044204227,
"volume_molar": 17.659407331706323,
"formula_full": "Ca3 As1 Br3",
"formula_reduced": "Ca3AsBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-105885",
"created_at": "2022-09-04T14:35:49.948484Z",
"updated_at": "2022-09-04T14:35:49.948514Z",
"structure_string": "Zn6 Ag2\n1.0\n5.688374 -0.000000 -0.000000\n-2.844187 4.926277 0.000000\n0.000000 0.000000 4.429373\nZn Ag\n6 2\ndirect\n0.164383 0.328768 0.250000 Zn\n0.671232 0.835617 0.250000 Zn\n0.164383 0.835617 0.250000 Zn\n0.835616 0.671233 0.749999 Zn\n0.328767 0.164383 0.749999 Zn\n0.835616 0.164383 0.749999 Zn\n0.333333 0.666667 0.749999 Ag\n0.666666 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.136533807879172,
"density_atomic": 0.06445264760046233,
"volume": 124.12213148467487,
"volume_molar": 9.343511840399247,
"formula_full": "Zn6 Ag2",
"formula_reduced": "Zn3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-64464",
"created_at": "2022-09-04T14:35:59.661386Z",
"updated_at": "2022-09-04T14:35:59.661408Z",
"structure_string": "Ba4 Tl1 Pb1\n1.0\n0.000000 5.058666 5.058666\n5.058666 -0.000000 5.058666\n5.058666 5.058666 -0.000000\nBa Tl Pb\n4 1 1\ndirect\n0.126757 0.624415 0.624415 Ba\n0.624415 0.624415 0.624415 Ba\n0.624415 0.126757 0.624415 Ba\n0.624415 0.624415 0.126757 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 6.162903184501565,
"density_atomic": 0.02317465283335156,
"volume": 258.90355480817226,
"volume_molar": 25.98589417198647,
"formula_full": "Ba4 Tl1 Pb1",
"formula_reduced": "Ba4TlPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-69371",
"created_at": "2022-09-04T14:35:51.908518Z",
"updated_at": "2022-09-04T14:35:51.908544Z",
"structure_string": "Ba1 Ge1 Cl2\n1.0\n4.968010 0.000000 0.000000\n0.000000 4.968010 0.000000\n0.000000 0.000000 4.258825\nBa Ge Cl\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Ge\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Cl"
],
"chemical_system": "Ba-Cl-Ge",
"density": 4.437152681498496,
"density_atomic": 0.03805443461041774,
"volume": 105.11258519407787,
"volume_molar": 15.825069592155721,
"formula_full": "Ba1 Ge1 Cl2",
"formula_reduced": "BaGeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65063",
"created_at": "2022-09-04T14:35:44.933393Z",
"updated_at": "2022-09-04T14:35:44.933430Z",
"structure_string": "K4 Sr1 Be1\n1.0\n0.000000 5.488627 5.488627\n5.488627 -0.000000 5.488627\n5.488627 5.488627 0.000000\nK Sr Be\n4 1 1\ndirect\n0.122149 0.625951 0.625951 K\n0.625951 0.625951 0.625951 K\n0.625951 0.122149 0.625951 K\n0.625951 0.625951 0.122149 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Sr",
"Be"
],
"chemical_system": "Be-K-Sr",
"density": 1.2705508115248558,
"density_atomic": 0.018143877357835392,
"volume": 330.69006594717274,
"volume_molar": 33.19103541779261,
"formula_full": "K4 Sr1 Be1",
"formula_reduced": "K4SrBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-101392",
"created_at": "2022-09-04T14:36:31.838009Z",
"updated_at": "2022-09-04T14:36:31.838035Z",
"structure_string": "Cd3 Bi1\n1.0\n4.323193 0.123596 -3.811725\n-0.801717 4.250003 -3.811725\n-0.099515 -0.123596 5.762754\nCd Bi\n3 1\ndirect\n0.749999 0.250000 0.500000 Cd\n0.249999 0.749999 0.499999 Cd\n0.499999 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd",
"density": 8.851127290448199,
"density_atomic": 0.03903436601604922,
"volume": 102.47380470725145,
"volume_molar": 15.42779190399547,
"formula_full": "Cd3 Bi1",
"formula_reduced": "Cd3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}