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=-chemical_system&page=4091",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4089",
"results": [
{
"id": "jvasp-40858",
"created_at": "2022-09-04T14:37:35.922909Z",
"updated_at": "2022-09-04T14:37:35.922946Z",
"structure_string": "Ba2 Bi1 Au1\n1.0\n0.000000 4.174689 4.174689\n4.174689 -0.000000 4.174689\n4.174689 4.174689 -0.000000\nBa Bi Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.750001 0.750001 0.750001 Bi\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Au"
],
"chemical_system": "Au-Ba-Bi",
"density": 7.76674921421423,
"density_atomic": 0.02748891592117674,
"volume": 145.51319562655087,
"volume_molar": 21.907523662512645,
"formula_full": "Ba2 Bi1 Au1",
"formula_reduced": "Ba2BiAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18598",
"created_at": "2022-09-04T14:36:44.326685Z",
"updated_at": "2022-09-04T14:36:44.326698Z",
"structure_string": "Ba1 Au2\n1.0\n2.442982 -4.231368 0.000000\n2.442982 4.231368 0.000000\n-0.000000 0.000000 4.149966\nBa Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Au"
],
"chemical_system": "Au-Ba",
"density": 10.282074102634654,
"density_atomic": 0.03496597606889236,
"volume": 85.79769070622237,
"volume_molar": 17.222859010527166,
"formula_full": "Ba1 Au2",
"formula_reduced": "BaAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1395825233333332,
"spacegroup": 191
},
{
"id": "jvasp-18599",
"created_at": "2022-09-04T14:36:45.401199Z",
"updated_at": "2022-09-04T14:36:45.401207Z",
"structure_string": "Ba1 Au5\n1.0\n2.937080 -5.087172 -0.000000\n2.937080 5.087172 -0.000000\n-0.000000 0.000000 4.561431\nBa Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Au"
],
"chemical_system": "Au-Ba",
"density": 13.670377844032641,
"density_atomic": 0.04401776093543945,
"volume": 136.30861435228746,
"volume_molar": 13.681161040500523,
"formula_full": "Ba1 Au5",
"formula_reduced": "BaAu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3880750466666667,
"spacegroup": 191
},
{
"id": "jvasp-56604",
"created_at": "2022-09-04T14:38:35.165359Z",
"updated_at": "2022-09-04T14:38:35.165387Z",
"structure_string": "Ba4 Au4\n1.0\n5.086259 -0.000000 0.000000\n-0.000000 6.387087 0.000000\n0.000000 0.000000 8.270109\nBa Au\n4 4\ndirect\n0.250000 0.855448 0.686733 Ba\n0.250000 0.644552 0.186733 Ba\n0.750000 0.144552 0.313267 Ba\n0.750000 0.355448 0.813267 Ba\n0.250000 0.351676 0.539921 Au\n0.750000 0.851676 0.960080 Au\n0.250000 0.148325 0.039921 Au\n0.750000 0.648325 0.460079 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Au"
],
"chemical_system": "Au-Ba",
"density": 8.264652047615506,
"density_atomic": 0.02977676066533159,
"volume": 268.6658931746803,
"volume_molar": 20.224297826363102,
"formula_full": "Ba4 Au4",
"formula_reduced": "BaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-16304",
"created_at": "2022-09-04T14:38:26.747135Z",
"updated_at": "2022-09-04T14:38:26.747156Z",
"structure_string": "B2 Au1\n1.0\n1.490465 -2.581560 0.000000\n1.490465 2.581560 -0.000000\n0.000000 0.000000 4.427732\nB Au\n2 1\ndirect\n0.666669 0.333335 0.500000 B\n0.333335 0.666669 0.500000 B\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Au"
],
"chemical_system": "Au-B",
"density": 10.652737296475584,
"density_atomic": 0.08804524929322467,
"volume": 34.07338867323598,
"volume_molar": 6.839824758680557,
"formula_full": "B2 Au1",
"formula_reduced": "B2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.982870912222223,
"spacegroup": 191
},
{
"id": "jvasp-4708",
"created_at": "2022-09-04T14:37:54.820474Z",
"updated_at": "2022-09-04T14:37:54.820493Z",
"structure_string": "B2 Au1\n1.0\n1.490465 -2.581560 0.000000\n1.490465 2.581560 0.000000\n-0.000000 -0.000000 4.427732\nB Au\n2 1\ndirect\n0.666669 0.333335 0.500000 B\n0.333335 0.666669 0.500000 B\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Au"
],
"chemical_system": "Au-B",
"density": 10.652737296475584,
"density_atomic": 0.08804524929322467,
"volume": 34.07338867323598,
"volume_molar": 6.839824758680557,
"formula_full": "B2 Au1",
"formula_reduced": "B2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.982870912222223,
"spacegroup": 191
},
{
"id": "jvasp-825",
"created_at": "2022-09-04T14:37:58.977468Z",
"updated_at": "2022-09-04T14:37:58.977499Z",
"structure_string": "Au1\n1.0\n2.543114 -0.000000 1.468267\n0.847705 2.397671 1.468267\n-0.000000 -0.000000 2.936534\nAu\n1\ndirect\n-0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.26632433213713,
"density_atomic": 0.05584824718856593,
"volume": 17.905664910549504,
"volume_molar": 10.783043449272194,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy_above_hull": 2.429999999997712e-06,
"spacegroup": 225
},
{
"id": "jvasp-25106",
"created_at": "2022-09-04T14:37:48.809644Z",
"updated_at": "2022-09-04T14:37:48.809659Z",
"structure_string": "Au2\n1.0\n2.910618 0.000000 0.000000\n-1.455309 2.520469 -0.000000\n0.000000 -0.000000 4.893574\nAu\n2\ndirect\n0.333311 0.666624 0.250000 Au\n0.666689 0.333376 0.749999 Au\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.221280003014513,
"density_atomic": 0.05571052671555007,
"volume": 35.899858032427375,
"volume_molar": 10.809699916764716,
"formula_full": "Au2",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy_above_hull": 0.0049399999999999,
"spacegroup": 194
},
{
"id": "jvasp-119437",
"created_at": "2022-09-04T14:38:33.391387Z",
"updated_at": "2022-09-04T14:38:33.391417Z",
"structure_string": "Zr14 As8\n1.0\n8.092727 -0.006291 2.096719\n7.244711 3.606445 2.096719\n-0.030336 -0.007121 15.132095\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.820242 0.820241 0.544426 Zr\n0.179758 0.179758 0.455574 Zr\n0.997939 0.997938 0.663195 Zr\n0.662010 0.662008 0.033365 Zr\n0.337991 0.337991 0.966636 Zr\n0.793618 0.793617 0.796527 Zr\n0.002061 0.002061 0.336806 Zr\n0.805059 0.805057 0.307216 Zr\n0.194941 0.194942 0.692784 Zr\n0.569811 0.569810 0.833467 Zr\n0.430190 0.430189 0.166534 Zr\n0.500000 0.500000 0.500000 Zr\n0.206383 0.206382 0.203473 Zr\n0.062059 0.062059 0.150417 As\n0.177950 0.177950 0.892122 As\n0.822051 0.822049 0.107879 As\n0.371645 0.371644 0.400940 As\n0.628356 0.628355 0.599061 As\n0.370046 0.370046 0.660626 As\n0.629955 0.629954 0.339375 As\n0.937942 0.937941 0.849584 As\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 7.040618277538136,
"density_atomic": 0.04970885694898672,
"volume": 442.5770647387307,
"volume_molar": 12.114824459110311,
"formula_full": "Zr14 As8",
"formula_reduced": "Zr7As4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.249128954545455,
"spacegroup": 12
},
{
"id": "jvasp-12781",
"created_at": "2022-09-04T14:38:36.044127Z",
"updated_at": "2022-09-04T14:38:36.044161Z",
"structure_string": "Zr4 As8\n1.0\n3.737897 -0.000000 0.000000\n-0.000000 6.873619 0.000000\n0.000000 0.000000 9.131610\nZr As\n4 8\ndirect\n0.750001 0.226994 0.838942 Zr\n0.250000 0.773007 0.161058 Zr\n0.750001 0.726994 0.661058 Zr\n0.250000 0.273007 0.338942 Zr\n0.750001 0.119822 0.542678 As\n0.250000 0.880179 0.457322 As\n0.750001 0.619822 0.957322 As\n0.250000 0.380179 0.042678 As\n0.750001 0.081514 0.149338 As\n0.250000 0.918486 0.850662 As\n0.750001 0.581515 0.350662 As\n0.250000 0.418486 0.649338 As\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.824755097207487,
"density_atomic": 0.05114711067550557,
"volume": 234.61735846882976,
"volume_molar": 11.774156311988925,
"formula_full": "Zr4 As8",
"formula_reduced": "ZrAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3612193333333336,
"spacegroup": 62
},
{
"id": "jvasp-19807",
"created_at": "2022-09-04T14:37:39.919484Z",
"updated_at": "2022-09-04T14:37:39.919504Z",
"structure_string": "Zr4 As4\n1.0\n1.920935 -3.327157 -0.000000\n1.920935 3.327157 -0.000000\n0.000000 0.000000 12.957650\nZr As\n4 4\ndirect\n0.333332 0.666666 0.116664 Zr\n0.666666 0.333332 0.616664 Zr\n0.666666 0.333332 0.883336 Zr\n0.333332 0.666666 0.383336 Zr\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.333332 0.666666 0.750000 As\n0.666666 0.333332 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.662783911268113,
"density_atomic": 0.048300072443671085,
"volume": 165.63122155416696,
"volume_molar": 12.468181630624242,
"formula_full": "Zr4 As4",
"formula_reduced": "ZrAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.6176081250000007,
"spacegroup": 194
},
{
"id": "jvasp-15864",
"created_at": "2022-09-04T14:37:41.058312Z",
"updated_at": "2022-09-04T14:37:41.058341Z",
"structure_string": "Zr1 As1\n1.0\n3.354922 0.000000 1.936965\n1.118307 3.163051 1.936965\n-0.000000 0.000000 3.873930\nZr As\n1 1\ndirect\n0.500000 0.500000 0.500001 Zr\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.71115935262168,
"density_atomic": 0.04865075728547127,
"volume": 41.10932926006614,
"volume_molar": 12.378308367665246,
"formula_full": "Zr1 As1",
"formula_reduced": "ZrAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.6487581250000003,
"spacegroup": 225
}
]
}