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&page=1150",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1148",
"results": [
{
"id": "jvasp-65043",
"created_at": "2022-09-04T14:36:16.764006Z",
"updated_at": "2022-09-04T14:36:16.764029Z",
"structure_string": "Sr4 Ti1 Be1\n1.0\n-0.000000 4.855937 4.855937\n4.855937 0.000000 4.855937\n4.855937 4.855937 0.000000\nSr Ti Be\n4 1 1\ndirect\n0.125607 0.624798 0.624798 Sr\n0.624798 0.624798 0.624798 Sr\n0.624798 0.125607 0.624798 Sr\n0.624798 0.624798 0.125607 Sr\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"Be"
],
"chemical_system": "Be-Sr-Ti",
"density": 2.953775478293568,
"density_atomic": 0.026200050219858346,
"volume": 229.00719462943226,
"volume_molar": 22.98522601851929,
"formula_full": "Sr4 Ti1 Be1",
"formula_reduced": "Sr4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8266016122222223,
"spacegroup": 216
},
{
"id": "jvasp-64043",
"created_at": "2022-09-04T14:36:14.042124Z",
"updated_at": "2022-09-04T14:36:14.042148Z",
"structure_string": "Ba4 Nb1 Tc1\n1.0\n-0.000000 4.855734 4.855734\n4.855734 0.000000 4.855734\n4.855734 4.855734 0.000000\nBa Nb Tc\n4 1 1\ndirect\n0.124139 0.625287 0.625287 Ba\n0.625287 0.625287 0.625287 Ba\n0.625287 0.124139 0.625287 Ba\n0.625287 0.625287 0.124139 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Tc"
],
"chemical_system": "Ba-Nb-Tc",
"density": 5.367993189608479,
"density_atomic": 0.026203336334305008,
"volume": 228.97847523885315,
"volume_molar": 22.982343481642467,
"formula_full": "Ba4 Nb1 Tc1",
"formula_reduced": "Ba4NbTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1057107966666666,
"spacegroup": 216
},
{
"id": "jvasp-119436",
"created_at": "2022-09-04T14:38:49.711765Z",
"updated_at": "2022-09-04T14:38:49.711785Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.462695 -0.000000 0.000000\n0.000000 5.840725 0.000000\n0.000000 -0.000000 11.320843\nU Mn B\n4 4 16\ndirect\n-0.000000 0.626542 0.349509 U\n-0.000000 0.373459 0.650491 U\n-0.000000 0.126541 0.150491 U\n-0.000000 0.873459 0.849509 U\n-0.000000 0.635602 0.091283 Mn\n-0.000000 0.364398 0.908717 Mn\n-0.000000 0.135602 0.408717 Mn\n-0.000000 0.864399 0.591283 Mn\n0.500001 0.026112 0.691129 B\n0.500001 0.973889 0.308870 B\n0.500001 0.613108 0.954192 B\n0.500001 0.386893 0.045808 B\n0.500001 0.113108 0.545808 B\n0.500001 0.886893 0.454192 B\n0.500001 0.636010 0.533186 B\n0.500001 0.716041 0.686751 B\n0.500001 0.136010 0.966813 B\n0.500001 0.863991 0.033186 B\n0.500001 0.473889 0.191129 B\n0.500001 0.283959 0.313248 B\n0.500001 0.216041 0.813248 B\n0.500001 0.783960 0.186751 B\n0.500001 0.363991 0.466814 B\n0.500001 0.526112 0.808870 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"U",
"Mn",
"B"
],
"chemical_system": "B-Mn-U",
"density": 9.75351559970963,
"density_atomic": 0.10482176679806071,
"volume": 228.96007893318603,
"volume_molar": 5.745124265651487,
"formula_full": "U4 Mn4 B16",
"formula_reduced": "UMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.100722262452107,
"spacegroup": 55
},
{
"id": "jvasp-109400",
"created_at": "2022-09-04T14:38:06.002414Z",
"updated_at": "2022-09-04T14:38:06.002442Z",
"structure_string": "Hg2 I3 Br1\n1.0\n4.373231 0.233114 0.059225\n1.754292 4.012724 0.059225\n-0.105751 -0.073276 13.355876\nHg I Br\n2 3 1\ndirect\n0.655013 0.655011 0.659497 Hg\n0.346302 0.346301 0.174422 Hg\n0.389109 0.389107 0.522262 I\n0.609683 0.609682 0.036040 I\n0.911151 0.911148 0.802810 I\n0.088744 0.088743 0.300253 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 6.250492996165515,
"density_atomic": 0.026206633869074347,
"volume": 228.94966327897677,
"volume_molar": 22.979451653676687,
"formula_full": "Hg2 I3 Br1",
"formula_reduced": "Hg2I3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-60669",
"created_at": "2022-09-04T14:37:00.273017Z",
"updated_at": "2022-09-04T14:37:00.273044Z",
"structure_string": "U2 B4 O12\n1.0\n4.083821 0.000000 0.962545\n1.925966 6.259766 0.973196\n0.041394 0.043204 8.968932\nU B O\n2 4 12\ndirect\n0.767666 0.750000 0.250001 U\n0.232334 0.250000 0.750000 U\n0.159428 0.148698 0.249657 B\n0.557785 0.351302 0.250343 B\n0.840571 0.851302 0.750343 B\n0.442215 0.648698 0.749658 B\n0.146819 0.226549 0.958414 O\n0.331784 0.273451 0.541586 O\n0.647379 0.448142 0.759066 O\n0.854587 0.051857 0.740935 O\n0.145413 0.948143 0.259066 O\n0.511612 0.834557 0.765661 O\n0.111830 0.665443 0.734340 O\n0.488388 0.165443 0.234340 O\n0.888170 0.334557 0.265661 O\n0.668216 0.726549 0.458414 O\n0.853180 0.773451 0.041587 O\n0.352621 0.551858 0.240935 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"B",
"O"
],
"chemical_system": "B-O-U",
"density": 5.159166412299227,
"density_atomic": 0.07862368961789785,
"volume": 228.9386327133456,
"volume_molar": 7.659448175565045,
"formula_full": "U2 B4 O12",
"formula_reduced": "U(BO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5488269074074075,
"spacegroup": 15
},
{
"id": "jvasp-111646",
"created_at": "2022-09-04T14:38:54.506812Z",
"updated_at": "2022-09-04T14:38:54.506849Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.313166 -0.017011 -2.149509\n-2.250709 5.757471 -1.579444\n-0.010079 -0.009837 7.501614\nLi Mn Co O\n8 2 4 14\ndirect\n0.072421 0.563647 0.851033 Li\n0.634586 0.154630 0.715449 Li\n0.231512 0.706536 0.582999 Li\n0.787804 0.292495 0.436760 Li\n0.360515 0.856978 0.288024 Li\n0.913498 0.429214 0.130985 Li\n0.498018 0.998355 0.994461 Li\n0.565552 0.562367 0.851202 Li\n0.995577 0.995313 0.995505 Mn\n0.850514 0.853957 0.283077 Mn\n0.285722 0.286954 0.429963 Co\n0.430683 0.430540 0.142251 Co\n0.146302 0.146436 0.716384 Co\n0.715105 0.712533 0.573469 Co\n0.057007 0.278451 0.934165 O\n0.967694 0.737876 0.083102 O\n0.511564 0.284992 0.930714 O\n0.089919 0.865526 0.784715 O\n0.659424 0.433294 0.627105 O\n0.229894 0.010762 0.499482 O\n0.805756 0.583164 0.353529 O\n0.372475 0.154160 0.208619 O\n0.179235 0.406076 0.633590 O\n0.770083 0.989510 0.502794 O\n0.345006 0.559118 0.363112 O\n0.904421 0.128825 0.211577 O\n0.484772 0.714865 0.089056 O\n0.634944 0.863417 0.786872 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.5342573907608426,
"density_atomic": 0.12230545430809077,
"volume": 228.9350066879866,
"volume_molar": 4.923852982737845,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555512395812808,
"spacegroup": 1
},
{
"id": "jvasp-36486",
"created_at": "2022-09-04T14:37:12.966449Z",
"updated_at": "2022-09-04T14:37:12.966480Z",
"structure_string": "Sr3 Bi1 Sb1\n1.0\n6.117168 0.000000 -0.000000\n-0.000000 6.117168 0.000000\n-0.000000 0.000000 6.117168\nSr Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Sb"
],
"chemical_system": "Bi-Sb-Sr",
"density": 4.306178798964674,
"density_atomic": 0.021843326650432423,
"volume": 228.90286264619942,
"volume_molar": 27.56970518444718,
"formula_full": "Sr3 Bi1 Sb1",
"formula_reduced": "Sr3BiSb",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0391298659999999,
"spacegroup": 221
},
{
"id": "jvasp-66672",
"created_at": "2022-09-04T14:35:42.569797Z",
"updated_at": "2022-09-04T14:35:42.569818Z",
"structure_string": "Ba4 In1 Rh1\n1.0\n-0.000000 4.855114 4.855114\n4.855114 0.000000 4.855114\n4.855114 4.855114 0.000000\nBa In Rh\n4 1 1\ndirect\n0.123351 0.625549 0.625549 Ba\n0.625549 0.625549 0.625549 Ba\n0.625549 0.123351 0.625549 Ba\n0.625549 0.625549 0.123351 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Rh"
],
"chemical_system": "Ba-In-Rh",
"density": 5.564600701420717,
"density_atomic": 0.026213376145879985,
"volume": 228.8907757096765,
"volume_molar": 22.973541166487678,
"formula_full": "Ba4 In1 Rh1",
"formula_reduced": "Ba4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3643978083333333,
"spacegroup": 216
},
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5549499913169593,
"density_atomic": 0.03495250732678792,
"volume": 228.88200623789666,
"volume_molar": 17.229495737447646,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-9100",
"created_at": "2022-09-04T14:37:28.166065Z",
"updated_at": "2022-09-04T14:37:28.166089Z",
"structure_string": "Ba2 N12\n1.0\n0.000000 5.490626 0.020113\n4.361468 0.000000 0.000000\n0.000000 -1.569629 -9.562635\nBa N\n2 12\ndirect\n0.169981 0.750000 0.216921 Ba\n0.830020 0.250000 0.783079 Ba\n0.707046 0.750000 0.332497 N\n0.292954 0.250000 0.667503 N\n0.859590 0.250000 0.095642 N\n0.140411 0.750000 0.904358 N\n0.647275 0.250000 0.106796 N\n0.352726 0.750000 0.893204 N\n0.436276 0.250000 0.115413 N\n0.563724 0.750000 0.884586 N\n0.224629 0.250000 0.419454 N\n0.775371 0.750000 0.580545 N\n0.258606 0.250000 0.543591 N\n0.741394 0.750000 0.456408 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 3.212339534836902,
"density_atomic": 0.061172624481270095,
"volume": 228.8605420924279,
"volume_molar": 9.844502849217896,
"formula_full": "Ba2 N12",
"formula_reduced": "BaN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.967686495714285,
"spacegroup": 11
},
{
"id": "jvasp-108002",
"created_at": "2022-09-04T14:35:46.096797Z",
"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 9.255849620301372,
"density_atomic": 0.034956041130777785,
"volume": 228.85886791557272,
"volume_molar": 17.227753959522836,
"formula_full": "Yb6 Sn2",
"formula_reduced": "Yb3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-97401",
"created_at": "2022-09-04T14:36:17.849403Z",
"updated_at": "2022-09-04T14:36:17.849434Z",
"structure_string": "La3 Cd3 Au3\n1.0\n8.000964 -0.000000 -0.000000\n-4.000482 6.929038 0.000000\n-0.000000 -0.000000 4.128064\nLa Cd Au\n3 3 3\ndirect\n0.405866 0.000000 0.000000 La\n0.594134 0.594134 0.000000 La\n0.000000 0.405866 0.000000 La\n0.745808 0.000000 0.500000 Cd\n0.254191 0.254192 0.500000 Cd\n0.000000 0.745809 0.500000 Cd\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"La",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-La",
"density": 9.758003698925474,
"density_atomic": 0.03932609538134064,
"volume": 228.85567236533484,
"volume_molar": 15.31334525231654,
"formula_full": "La3 Cd3 Au3",
"formula_reduced": "LaCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
}
]
}