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=-created_at&page=159",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=157",
"results": [
{
"id": "jvasp-123478",
"created_at": "2022-09-04T14:38:51.182025Z",
"updated_at": "2022-09-04T14:38:51.182051Z",
"structure_string": "Dy1 U3\n1.0\n2.923111 0.000000 0.000000\n0.000000 5.916605 0.000000\n0.000000 0.000000 5.147287\nDy U\n1 3\ndirect\n0.000000 0.108535 0.750000 Dy\n0.500000 0.407955 0.250000 U\n0.500000 0.606904 0.750000 U\n0.000000 0.876607 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"U"
],
"chemical_system": "Dy-U",
"density": 16.351128132554212,
"density_atomic": 0.04493282495073414,
"volume": 89.02177871936017,
"volume_molar": 13.402542053838987,
"formula_full": "Dy1 U3",
"formula_reduced": "DyU3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.896076125,
"spacegroup": 25
},
{
"id": "jvasp-117470",
"created_at": "2022-09-04T14:38:51.180205Z",
"updated_at": "2022-09-04T14:38:51.180235Z",
"structure_string": "B2 H2\n1.0\n2.811175 -0.093941 0.295229\n-0.164185 -4.779819 0.033314\n0.202687 -0.020179 -1.934288\nB H\n2 2\ndirect\n0.234914 0.143450 0.055558 B\n0.734963 0.311615 0.555623 B\n0.735028 0.557422 0.555703 H\n0.234861 0.897649 0.055458 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.4919501915625974,
"density_atomic": 0.15203959176717807,
"volume": 26.308936728304936,
"volume_molar": 3.960903005594655,
"formula_full": "B2 H2",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 2.446581291666667,
"spacegroup": 59
},
{
"id": "jvasp-122551",
"created_at": "2022-09-04T14:38:51.178241Z",
"updated_at": "2022-09-04T14:38:51.178316Z",
"structure_string": "Ca1 Sn7\n1.0\n6.796718 -0.000000 -0.000000\n-0.000000 6.796718 0.000000\n-0.000000 -0.000000 6.796718\nCa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ca\n0.260417 0.260417 0.760417 Sn\n0.000000 0.500000 0.000000 Sn\n0.260417 0.739583 0.239583 Sn\n0.500000 0.000000 0.000000 Sn\n0.739583 0.260417 0.239583 Sn\n0.500000 0.500000 0.500000 Sn\n0.739583 0.739583 0.760417 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.606737137530331,
"density_atomic": 0.025479578159747173,
"volume": 313.9769406637375,
"volume_molar": 23.63516665088994,
"formula_full": "Ca1 Sn7",
"formula_reduced": "CaSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.4655562750000001,
"spacegroup": 215
},
{
"id": "jvasp-120211",
"created_at": "2022-09-04T14:38:51.172655Z",
"updated_at": "2022-09-04T14:38:51.172676Z",
"structure_string": "H1 Cl2\n1.0\n5.138093 -1.026584 -0.649532\n1.900019 -3.739370 -0.459324\n-1.330015 2.089953 -2.893750\nH Cl\n1 2\ndirect\n-0.026623 0.012711 0.794552 H\n0.689948 0.582016 0.794691 Cl\n0.185531 0.591309 0.794850 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 2.1747442380085316,
"density_atomic": 0.05463453645904631,
"volume": 54.91032219608526,
"volume_molar": 11.022589648059258,
"formula_full": "H1 Cl2",
"formula_reduced": "HCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7704627116666667,
"spacegroup": 8
},
{
"id": "jvasp-118577",
"created_at": "2022-09-04T14:38:51.172563Z",
"updated_at": "2022-09-04T14:38:51.172587Z",
"structure_string": "K1 Se2\n1.0\n3.882626 1.258255 0.193932\n1.562433 -4.637089 -1.040581\n0.462839 -0.604394 -4.650340\nK Se\n1 2\ndirect\n0.002724 0.944027 0.161429 K\n0.501545 0.343779 0.447390 Se\n0.503910 0.543997 0.875713 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.632949526504583,
"density_atomic": 0.0333138598244121,
"volume": 90.05260920866415,
"volume_molar": 18.07698294866159,
"formula_full": "K1 Se2",
"formula_reduced": "KSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5875600166666666,
"spacegroup": 10
},
{
"id": "jvasp-120214",
"created_at": "2022-09-04T14:38:51.168754Z",
"updated_at": "2022-09-04T14:38:51.168775Z",
"structure_string": "H2 Cl2\n1.0\n2.521552 0.000000 0.000000\n-0.000000 2.521552 -0.000000\n-0.000000 0.000000 9.419366\nH Cl\n2 2\ndirect\n0.000000 0.000000 0.001153 H\n0.500000 0.500000 -0.001153 H\n0.000000 0.000000 0.324497 Cl\n0.500000 0.500000 0.675505 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 2.0218522911734977,
"density_atomic": 0.06678861871132798,
"volume": 59.890443569265834,
"volume_molar": 9.016717033823893,
"formula_full": "H2 Cl2",
"formula_reduced": "HCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.35795203375,
"spacegroup": 129
},
{
"id": "jvasp-122547",
"created_at": "2022-09-04T14:38:51.168228Z",
"updated_at": "2022-09-04T14:38:51.168247Z",
"structure_string": "Be1 Sn7\n1.0\n6.370492 -0.000000 0.000000\n-0.000000 6.370492 -0.000000\n-0.000000 -0.000000 6.370492\nBe Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Be\n0.221295 0.221295 0.721294 Sn\n0.000000 0.500000 0.000000 Sn\n0.221295 0.778705 0.278705 Sn\n0.500000 0.000000 0.000000 Sn\n0.778705 0.221295 0.278705 Sn\n0.500000 0.500000 0.500000 Sn\n0.778705 0.778705 0.721294 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Be",
"Sn"
],
"chemical_system": "Be-Sn",
"density": 5.395109296335222,
"density_atomic": 0.030943616000981458,
"volume": 258.5347491303621,
"volume_molar": 19.461658132679105,
"formula_full": "Be1 Sn7",
"formula_reduced": "BeSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.708021,
"spacegroup": 215
},
{
"id": "jvasp-119122",
"created_at": "2022-09-04T14:38:51.164954Z",
"updated_at": "2022-09-04T14:38:51.164980Z",
"structure_string": "Y3 Sn4 Bi1 O14\n1.0\n6.449330 -0.000156 3.690000\n2.139972 6.083944 3.690000\n-0.000220 -0.000156 7.430340\nY Sn Bi O\n3 4 1 14\ndirect\n0.000000 0.499999 0.500000 Y\n0.500000 0.499999 0.000000 Y\n0.500000 -0.000001 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.500000 0.499999 0.500000 Bi\n0.087905 0.087905 0.662472 O\n0.662621 0.662620 0.081447 O\n0.662472 0.087905 0.087905 O\n0.081447 0.662620 0.662621 O\n0.337380 0.918552 0.337380 O\n0.912095 0.337527 0.912095 O\n0.918553 0.337379 0.337380 O\n0.337380 0.337379 0.918553 O\n0.337529 0.912093 0.912095 O\n0.087905 0.662471 0.087905 O\n0.629873 0.629871 0.629873 O\n0.370128 0.370127 0.370128 O\n0.912095 0.912093 0.337529 O\n0.662621 0.081446 0.662621 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Y",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sn-Y",
"density": 6.689440628510044,
"density_atomic": 0.07545698342441721,
"volume": 291.5568447291122,
"volume_molar": 7.980892538637171,
"formula_full": "Y3 Sn4 Bi1 O14",
"formula_reduced": "Y3Sn4BiO14",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 2.4867493840909094,
"spacegroup": 166
},
{
"id": "jvasp-118314",
"created_at": "2022-09-04T14:38:51.164477Z",
"updated_at": "2022-09-04T14:38:51.164504Z",
"structure_string": "Sr1 O1 F2\n1.0\n3.612797 -0.000000 -0.000000\n0.000000 3.612797 -0.000000\n-0.000000 0.000000 4.717046\nSr O F\n1 1 2\ndirect\n0.500001 0.500001 0.502597 Sr\n0.000000 0.000000 0.002395 O\n0.000000 0.000000 0.502402 F\n0.500001 0.500001 0.002607 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"O",
"F"
],
"chemical_system": "F-O-Sr",
"density": 3.8194851263494183,
"density_atomic": 0.06496848815334853,
"volume": 61.56830970975636,
"volume_molar": 9.269325685685688,
"formula_full": "Sr1 O1 F2",
"formula_reduced": "SrOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0402425706249999,
"spacegroup": 123
},
{
"id": "jvasp-117462",
"created_at": "2022-09-04T14:38:51.164104Z",
"updated_at": "2022-09-04T14:38:51.164125Z",
"structure_string": "Ba1 B2 P2\n1.0\n-1.979975 1.979975 5.292578\n1.979975 -1.979975 5.292578\n1.979975 1.979975 -5.292578\nBa B P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.680220 0.680220 0.000000 P\n0.319780 0.319780 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 4.419684898605862,
"density_atomic": 0.06024532233800278,
"volume": 82.99399531714344,
"volume_molar": 9.996030440692374,
"formula_full": "Ba1 B2 P2",
"formula_reduced": "Ba(BP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.110562427333334,
"spacegroup": 139
},
{
"id": "jvasp-120213",
"created_at": "2022-09-04T14:38:51.156078Z",
"updated_at": "2022-09-04T14:38:51.156100Z",
"structure_string": "H2 Cl1\n1.0\n3.347132 0.000000 -0.000000\n-1.673566 2.898701 0.000000\n0.000000 0.000000 3.544309\nH Cl\n2 1\ndirect\n0.333333 0.666667 0.000000 H\n0.666666 0.333333 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.809305783047732,
"density_atomic": 0.08723955005188985,
"volume": 34.388072820361955,
"volume_molar": 6.902993832978329,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8550946891666664,
"spacegroup": 191
},
{
"id": "jvasp-119408",
"created_at": "2022-09-04T14:38:51.154594Z",
"updated_at": "2022-09-04T14:38:51.154617Z",
"structure_string": "K1 Cu2 S2 O10\n1.0\n4.891670 -0.031815 2.122152\n1.235407 4.733203 2.122152\n-0.194533 -0.149267 8.241651\nK Cu S O\n1 2 2 10\ndirect\n0.500001 0.500000 0.500000 K\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000001 -0.000000 Cu\n0.062770 0.062769 0.724447 S\n0.937231 0.937231 0.275553 S\n0.162739 0.162738 0.826433 O\n0.837262 0.837262 0.173566 O\n0.166655 0.166654 0.528014 O\n0.833346 0.833346 0.471985 O\n0.742979 0.157389 0.773091 O\n0.157390 0.742978 0.773091 O\n0.257022 0.842610 0.226909 O\n0.842611 0.257022 0.226909 O\n0.338761 0.338761 0.043159 O\n0.661240 0.661239 0.956840 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-K-O-S",
"density": 3.3362372248905388,
"density_atomic": 0.07721196808822679,
"volume": 194.27040096763426,
"volume_molar": 7.799491334191558,
"formula_full": "K1 Cu2 S2 O10",
"formula_reduced": "KCu2(SO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.0892582600000003,
"spacegroup": 12
}
]
}