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=updated_at&page=373",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=371",
"results": [
{
"id": "jvasp-86360",
"created_at": "2022-09-04T14:35:52.964696Z",
"updated_at": "2022-09-04T14:35:52.964725Z",
"structure_string": "La1 Pt5\n1.0\n0.000000 0.000000 -4.436165\n-2.728097 -4.725203 0.000000\n-2.728071 4.725187 0.000000\nLa Pt\n1 5\ndirect\n0.000000 -0.000018 -0.000000 La\n0.000000 0.333311 0.666681 Pt\n0.000000 0.666631 0.333320 Pt\n0.499999 0.499994 0.000000 Pt\n0.499999 0.499994 0.500007 Pt\n0.499999 -0.000013 0.499993 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 16.178788355540917,
"density_atomic": 0.052460942584568064,
"volume": 114.37080053084983,
"volume_molar": 11.479284327177673,
"formula_full": "La1 Pt5",
"formula_reduced": "LaPt5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.644438666666667,
"spacegroup": 191
},
{
"id": "jvasp-106085",
"created_at": "2022-09-04T14:35:52.968098Z",
"updated_at": "2022-09-04T14:35:52.968134Z",
"structure_string": "Dy2 O3\n1.0\n3.772196 -0.000000 0.000000\n0.000000 3.772196 0.000000\n0.000000 -0.000000 5.532185\nDy O\n2 3\ndirect\n0.500000 0.000000 0.786899 Dy\n0.000000 0.500000 0.213101 Dy\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Dy",
"O"
],
"chemical_system": "Dy-O",
"density": 7.868113901210224,
"density_atomic": 0.06351624410677481,
"volume": 78.72001989907787,
"volume_molar": 9.48126080924496,
"formula_full": "Dy2 O3",
"formula_reduced": "Dy2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4274407,
"spacegroup": 115
},
{
"id": "jvasp-68517",
"created_at": "2022-09-04T14:35:52.970913Z",
"updated_at": "2022-09-04T14:35:52.970933Z",
"structure_string": "Be2 Hg1 Te1\n1.0\n3.583649 -0.000000 -0.000000\n0.000000 3.583649 0.000000\n0.000000 0.000000 5.958927\nBe Hg Te\n2 1 1\ndirect\n-0.000000 -0.000000 0.860863 Be\n0.500000 0.500000 0.321863 Be\n-0.000000 -0.000000 0.406688 Hg\n0.500000 0.500000 0.910588 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Te"
],
"chemical_system": "Be-Hg-Te",
"density": 7.512339081313477,
"density_atomic": 0.052268615175253615,
"volume": 76.52775927941143,
"volume_molar": 11.521523460700294,
"formula_full": "Be2 Hg1 Te1",
"formula_reduced": "Be2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8538757583333333,
"spacegroup": 99
},
{
"id": "jvasp-93121",
"created_at": "2022-09-04T14:35:52.973156Z",
"updated_at": "2022-09-04T14:35:52.973178Z",
"structure_string": "Li1 Hf1 Mg6\n1.0\n6.353445 0.000546 0.000000\n-3.176247 5.502517 0.000000\n0.000000 0.000000 5.032991\nLi Hf Mg\n1 1 6\ndirect\n0.083454 0.416546 0.250000 Li\n0.416605 0.083395 0.750000 Hf\n0.090716 0.920304 0.250000 Mg\n0.579696 0.409285 0.250000 Mg\n0.579621 0.920380 0.250000 Mg\n0.417155 0.583652 0.750000 Mg\n0.916348 0.082846 0.750000 Mg\n0.916403 0.583597 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 3.1260868629642604,
"density_atomic": 0.04546441657367062,
"volume": 175.9617873251884,
"volume_molar": 13.245833145668355,
"formula_full": "Li1 Hf1 Mg6",
"formula_reduced": "LiHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1637034124999999,
"spacegroup": 187
},
{
"id": "jvasp-67026",
"created_at": "2022-09-04T14:35:52.979035Z",
"updated_at": "2022-09-04T14:35:52.979061Z",
"structure_string": "Li1 Be2 Pb1\n1.0\n3.464013 0.000000 0.000000\n0.000000 3.464013 0.000000\n0.000000 0.000000 5.264107\nLi Be Pb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.786756 Be\n0.000000 0.000000 0.213245 Be\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Pb"
],
"chemical_system": "Be-Li-Pb",
"density": 6.103272937790326,
"density_atomic": 0.06332515429092814,
"volume": 63.16605217609448,
"volume_molar": 9.509871436448632,
"formula_full": "Li1 Be2 Pb1",
"formula_reduced": "LiBe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.267560755,
"spacegroup": 123
},
{
"id": "jvasp-71362",
"created_at": "2022-09-04T14:35:52.984351Z",
"updated_at": "2022-09-04T14:35:52.984368Z",
"structure_string": "Na2 Be1 Ge1\n1.0\n3.283610 0.000000 -0.000000\n0.000000 3.283610 0.000000\n-0.000000 -0.000000 8.218683\nNa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.944182 Na\n0.500000 0.500000 0.304369 Na\n0.000000 0.000000 0.577727 Be\n0.500000 0.500000 0.673722 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 2.3916760377922115,
"density_atomic": 0.04513927946340034,
"volume": 88.61461785723152,
"volume_molar": 13.341242553246447,
"formula_full": "Na2 Be1 Ge1",
"formula_reduced": "Na2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3673750125,
"spacegroup": 99
},
{
"id": "jvasp-64016",
"created_at": "2022-09-04T14:35:52.985180Z",
"updated_at": "2022-09-04T14:35:52.985200Z",
"structure_string": "Ba4 Ca1 Os1\n1.0\n-0.000000 4.884609 4.884609\n4.884609 -0.000000 4.884609\n4.884609 4.884609 0.000000\nBa Ca Os\n4 1 1\ndirect\n0.118865 0.627045 0.627045 Ba\n0.627045 0.627045 0.627045 Ba\n0.627045 0.118865 0.627045 Ba\n0.627045 0.627045 0.118865 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Os"
],
"chemical_system": "Ba-Ca-Os",
"density": 5.554058238674471,
"density_atomic": 0.02574138076752711,
"volume": 233.08772960497257,
"volume_molar": 23.394785285166066,
"formula_full": "Ba4 Ca1 Os1",
"formula_reduced": "Ba4CaOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0187332166666667,
"spacegroup": 216
},
{
"id": "jvasp-67703",
"created_at": "2022-09-04T14:35:52.987975Z",
"updated_at": "2022-09-04T14:35:52.988006Z",
"structure_string": "Sr1 Be2 Pb1\n1.0\n4.587580 -0.000000 0.000000\n0.000000 4.587580 -0.000000\n0.000000 0.000000 4.228339\nSr Be Pb\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Pb"
],
"chemical_system": "Be-Pb-Sr",
"density": 5.8376806409779896,
"density_atomic": 0.044949295674759755,
"volume": 88.98915856085613,
"volume_molar": 13.397630974185866,
"formula_full": "Sr1 Be2 Pb1",
"formula_reduced": "SrBe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9725398325,
"spacegroup": 123
},
{
"id": "jvasp-88089",
"created_at": "2022-09-04T14:35:52.988523Z",
"updated_at": "2022-09-04T14:35:52.988560Z",
"structure_string": "Pr6 U2 Cl6 O12\n1.0\n9.466923 -0.000000 -0.000000\n-4.733461 8.198596 -0.000000\n0.000000 -0.000000 5.598371\nPr U Cl O\n6 2 6 12\ndirect\n0.092002 0.688470 0.750000 Pr\n0.907998 0.311531 0.250000 Pr\n0.403532 0.092002 0.250000 Pr\n0.311531 0.403532 0.750000 Pr\n0.688469 0.596468 0.250000 Pr\n0.596468 0.907999 0.750000 Pr\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.058450 0.811843 0.250000 Cl\n0.246607 0.058449 0.750000 Cl\n0.941550 0.188157 0.750000 Cl\n0.753393 0.941551 0.250000 Cl\n0.811843 0.753394 0.750000 Cl\n0.188157 0.246607 0.250000 Cl\n0.151428 0.515682 0.006000 O\n0.484318 0.635746 0.006000 O\n0.515682 0.364255 0.994000 O\n0.848572 0.484319 0.505999 O\n0.484318 0.635746 0.494000 O\n0.635745 0.151428 0.994000 O\n0.635745 0.151428 0.505999 O\n0.151428 0.515682 0.494000 O\n0.364255 0.848572 0.006000 O\n0.848572 0.484319 0.994000 O\n0.515682 0.364255 0.505999 O\n0.364255 0.848572 0.494000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Pr",
"U",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-U",
"density": 6.59680818416251,
"density_atomic": 0.05983610855633173,
"volume": 434.5202358125065,
"volume_molar": 10.064392396658874,
"formula_full": "Pr6 U2 Cl6 O12",
"formula_reduced": "Pr3U(ClO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.1871545194230766,
"spacegroup": 176
},
{
"id": "jvasp-64096",
"created_at": "2022-09-04T14:35:52.990060Z",
"updated_at": "2022-09-04T14:35:52.990079Z",
"structure_string": "Ba4 Li1 W1\n1.0\n-0.000000 4.887125 4.887125\n4.887125 0.000000 4.887125\n4.887125 4.887125 0.000000\nBa Li W\n4 1 1\ndirect\n0.121107 0.626299 0.626299 Ba\n0.626299 0.626299 0.626299 Ba\n0.626299 0.121107 0.626299 Ba\n0.626299 0.626299 0.121107 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"W"
],
"chemical_system": "Ba-Li-W",
"density": 5.264325194412961,
"density_atomic": 0.02570164453582603,
"volume": 233.44809674091016,
"volume_molar": 23.430954978797637,
"formula_full": "Ba4 Li1 W1",
"formula_reduced": "Ba4LiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.63104898,
"spacegroup": 216
},
{
"id": "jvasp-97440",
"created_at": "2022-09-04T14:35:52.992518Z",
"updated_at": "2022-09-04T14:35:52.992535Z",
"structure_string": "Nd14 S12 Cl18\n1.0\n6.690905 0.000000 0.000000\n0.000000 6.925199 -0.921156\n0.000000 -0.072538 24.406993\nNd S Cl\n14 12 18\ndirect\n0.287028 0.250000 -0.000000 Nd\n0.696062 0.378682 0.143395 Nd\n0.718626 0.507885 0.422895 Nd\n0.303938 0.878682 0.143395 Nd\n0.281375 0.007885 0.422895 Nd\n0.304129 0.137552 0.715234 Nd\n0.695872 0.637552 0.715234 Nd\n0.695872 0.862448 0.284766 Nd\n0.304129 0.362448 0.284766 Nd\n0.303938 0.621318 0.856605 Nd\n0.712973 0.750000 -0.000000 Nd\n0.281375 0.492114 0.577105 Nd\n0.696062 0.121318 0.856605 Nd\n0.718626 0.992114 0.577105 Nd\n0.444225 0.687784 0.360837 S\n0.556465 0.118775 0.217415 S\n0.555776 0.312216 0.639163 S\n0.443535 0.881225 0.782585 S\n0.444225 0.812216 0.639163 S\n0.461709 0.924650 0.928443 S\n0.461709 0.575349 0.071556 S\n0.538292 0.424650 0.928443 S\n0.443535 0.618775 0.217415 S\n0.538292 0.075349 0.071557 S\n0.556465 0.381225 0.782585 S\n0.555776 0.187784 0.360837 S\n0.066754 0.231484 0.189359 Cl\n0.043162 0.941932 0.059923 Cl\n0.082393 0.033090 0.320302 Cl\n0.885419 0.886106 0.443839 Cl\n0.556257 0.250000 0.500000 Cl\n0.082393 0.466910 0.679698 Cl\n0.114582 0.113894 0.556161 Cl\n0.956839 0.441932 0.059923 Cl\n0.043162 0.558068 0.940077 Cl\n0.443744 0.750000 0.500000 Cl\n0.917607 0.533090 0.320302 Cl\n0.917607 0.966910 0.679698 Cl\n0.114582 0.386106 0.443839 Cl\n0.933247 0.731484 0.189359 Cl\n0.066754 0.268516 0.810641 Cl\n0.956839 0.058068 0.940077 Cl\n0.885419 0.613894 0.556161 Cl\n0.933247 0.768516 0.810641 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Nd",
"S",
"Cl"
],
"chemical_system": "Cl-Nd-S",
"density": 4.468837864478088,
"density_atomic": 0.038921807394596046,
"volume": 1130.4716544614785,
"volume_molar": 15.472407791720693,
"formula_full": "Nd14 S12 Cl18",
"formula_reduced": "Nd7(S2Cl3)3",
"formula_anonymous": "A6B7C9",
"energy_above_hull": 1.2642935048863635,
"spacegroup": 13
},
{
"id": "jvasp-90628",
"created_at": "2022-09-04T14:35:52.994567Z",
"updated_at": "2022-09-04T14:35:52.994579Z",
"structure_string": "N6 Cl2\n1.0\n0.000000 0.000000 4.138048\n5.595359 0.000000 0.000000\n-2.797679 5.823188 0.000000\nN Cl\n6 2\ndirect\n0.572548 0.230613 0.461228 N\n0.072548 0.769387 0.538773 N\n0.399323 0.318313 0.636625 N\n0.899323 0.681688 0.363375 N\n0.276083 0.406235 0.812469 N\n0.776083 0.593765 0.187531 N\n0.332548 0.105633 0.211268 Cl\n0.832548 0.894367 0.788733 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 1.9082959807280129,
"density_atomic": 0.05933428254017325,
"volume": 134.82930369274237,
"volume_molar": 10.14951306763103,
"formula_full": "N6 Cl2",
"formula_reduced": "N3Cl",
"formula_anonymous": "AB3",
"energy_above_hull": 4.0731959543750005,
"spacegroup": 36
}
]
}