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=3396",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3394",
"results": [
{
"id": "jvasp-86814",
"created_at": "2022-09-04T14:36:03.356033Z",
"updated_at": "2022-09-04T14:36:03.356053Z",
"structure_string": "Ba1 Ag2 Sn1 Se4\n1.0\n6.255230 -0.008008 -2.423577\n-3.626766 5.462317 -1.418134\n0.007264 0.008008 6.708322\nBa Ag Sn Se\n1 2 1 4\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.821330 0.321330 Ag\n0.500000 0.178670 0.678670 Ag\n0.000001 0.500000 0.500001 Sn\n0.010357 0.531290 0.127656 Se\n0.403631 0.882701 0.872343 Se\n0.989641 0.117299 0.520931 Se\n0.596367 0.468711 0.479068 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Ba-Se-Sn",
"density": 5.704885678885048,
"density_atomic": 0.03489592695078726,
"volume": 229.2531163101692,
"volume_molar": 17.257431701106135,
"formula_full": "Ba1 Ag2 Sn1 Se4",
"formula_reduced": "BaAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.6628232070833333,
"spacegroup": 23
},
{
"id": "jvasp-7629",
"created_at": "2022-09-04T14:38:11.293267Z",
"updated_at": "2022-09-04T14:38:11.293293Z",
"structure_string": "Sn1 S1\n1.0\n3.978992 -0.000000 2.297272\n1.326331 3.751430 2.297272\n0.000000 0.000000 4.594544\nSn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 3.650615610596642,
"density_atomic": 0.029162024308093133,
"volume": 68.58234458864209,
"volume_molar": 20.650626638181347,
"formula_full": "Sn1 S1",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.6627358500000001,
"spacegroup": 216
},
{
"id": "jvasp-38606",
"created_at": "2022-09-04T14:37:50.175209Z",
"updated_at": "2022-09-04T14:37:50.175222Z",
"structure_string": "Li1 Lu2 In1\n1.0\n-0.000000 3.621070 3.621070\n3.621070 -0.000000 3.621070\n3.621070 3.621070 -0.000000\nLi Lu In\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.250001 0.250001 0.250001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"In"
],
"chemical_system": "In-Li-Lu",
"density": 8.24836312383222,
"density_atomic": 0.04212299422588574,
"volume": 94.96001111767809,
"volume_molar": 14.29656383804556,
"formula_full": "Li1 Lu2 In1",
"formula_reduced": "LiLu2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6627303675,
"spacegroup": 225
},
{
"id": "jvasp-100338",
"created_at": "2022-09-04T14:38:39.614105Z",
"updated_at": "2022-09-04T14:38:39.614122Z",
"structure_string": "Tb2 Al2 Cu2\n1.0\n4.699373 -0.027551 -2.611790\n-1.635329 4.412020 -2.601171\n0.004130 0.027551 5.376387\nTb Al Cu\n2 2 2\ndirect\n0.121798 0.871799 0.250000 Tb\n0.878201 0.128201 0.750000 Tb\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Tb",
"density": 7.414596521972044,
"density_atomic": 0.05369961141755177,
"volume": 111.73265209213216,
"volume_molar": 11.214495973115474,
"formula_full": "Tb2 Al2 Cu2",
"formula_reduced": "TbAlCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.66271055,
"spacegroup": 74
},
{
"id": "jvasp-26626",
"created_at": "2022-09-04T14:37:48.944988Z",
"updated_at": "2022-09-04T14:37:48.945010Z",
"structure_string": "Ba4 In2 Br2 O6\n1.0\n4.289246 -0.000000 -0.000000\n0.000000 4.289246 0.000000\n0.000000 0.000000 15.603923\nBa In Br O\n4 2 2 6\ndirect\n0.500000 0.000000 0.658137 Ba\n0.000000 0.500000 0.341863 Ba\n0.000000 0.500000 0.092741 Ba\n0.500000 0.000000 0.907259 Ba\n0.500000 0.000000 0.207386 In\n0.000000 0.500000 0.792613 In\n0.000000 0.500000 0.574417 Br\n0.500000 0.000000 0.425583 Br\n0.500000 0.500000 0.769388 O\n0.000000 0.000000 0.769388 O\n0.500000 0.500000 0.230612 O\n0.000000 0.500000 0.927650 O\n0.000000 0.000000 0.230612 O\n0.500000 0.000000 0.072350 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"In",
"Br",
"O"
],
"chemical_system": "Ba-Br-In-O",
"density": 5.985330722786604,
"density_atomic": 0.04876770601270952,
"volume": 287.0752213842376,
"volume_molar": 12.348624227743148,
"formula_full": "Ba4 In2 Br2 O6",
"formula_reduced": "Ba2InBrO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.6626480735714285,
"spacegroup": 129
},
{
"id": "jvasp-42011",
"created_at": "2022-09-04T14:37:41.851436Z",
"updated_at": "2022-09-04T14:37:41.851456Z",
"structure_string": "Li1 Hg1 Pd2\n1.0\n-0.000000 3.188981 3.188981\n3.188981 -0.000000 3.188981\n3.188981 3.188981 0.000000\nLi Hg Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Li\n0.250001 0.250001 0.250001 Hg\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pd"
],
"chemical_system": "Hg-Li-Pd",
"density": 10.76207599670479,
"density_atomic": 0.06167003579635203,
"volume": 64.86132119671336,
"volume_molar": 9.76510015315449,
"formula_full": "Li1 Hg1 Pd2",
"formula_reduced": "LiHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6626271375000001,
"spacegroup": 225
},
{
"id": "jvasp-64044",
"created_at": "2022-09-04T14:36:14.864584Z",
"updated_at": "2022-09-04T14:36:14.864604Z",
"structure_string": "Ba2 Bi1 P1\n1.0\n-0.000000 4.139038 4.139038\n4.139038 0.000000 4.139038\n4.139038 4.139038 0.000000\nBa Bi P\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 6.025561605323089,
"density_atomic": 0.028205366985879356,
"volume": 141.81698121504843,
"volume_molar": 21.351045575882438,
"formula_full": "Ba2 Bi1 P1",
"formula_reduced": "Ba2BiP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6625929350000002,
"spacegroup": 225
},
{
"id": "jvasp-92880",
"created_at": "2022-09-04T14:35:54.233528Z",
"updated_at": "2022-09-04T14:35:54.233550Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.712266 0.469584 0.000000\n-2.949462 5.108616 0.000000\n0.000000 0.000000 4.375733\nMg Cr B\n6 1 1\ndirect\n0.619101 0.307773 0.250000 Mg\n0.619101 0.811325 0.250000 Mg\n0.303876 0.139930 0.750000 Mg\n0.303877 0.663947 0.750000 Mg\n0.850157 0.175079 0.750000 Mg\n0.875436 0.687716 0.750000 Mg\n0.146573 0.323287 0.250000 Cr\n0.281881 0.890941 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mg",
"density": 2.219324727861362,
"density_atomic": 0.051247207358417105,
"volume": 156.10606728380174,
"volume_molar": 11.751158883413563,
"formula_full": "Mg6 Cr1 B1",
"formula_reduced": "Mg6CrB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6624155354166666,
"spacegroup": 38
},
{
"id": "jvasp-7643",
"created_at": "2022-09-04T14:37:03.140278Z",
"updated_at": "2022-09-04T14:37:03.140310Z",
"structure_string": "Na2 Al2 Se4\n1.0\n5.559770 0.000000 3.120763\n2.779885 5.382959 1.560381\n0.145067 0.000000 6.254419\nNa Al Se\n2 2 4\ndirect\n0.250000 -0.000000 -0.000000 Na\n0.750000 -0.000000 -0.000000 Na\n0.250000 0.500000 0.500000 Al\n0.750000 0.500000 0.500000 Al\n0.170185 0.500000 0.159629 Se\n0.329814 0.840371 0.500000 Se\n0.670186 0.159629 0.500000 Se\n0.829814 0.500000 0.840371 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Al",
"Se"
],
"chemical_system": "Al-Na-Se",
"density": 3.7371615123005646,
"density_atomic": 0.043302844947604675,
"volume": 184.74536741592368,
"volume_molar": 13.907032591707624,
"formula_full": "Na2 Al2 Se4",
"formula_reduced": "NaAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6622946333333333,
"spacegroup": 140
},
{
"id": "jvasp-41992",
"created_at": "2022-09-04T14:37:35.823417Z",
"updated_at": "2022-09-04T14:37:35.823437Z",
"structure_string": "Li1 Al1 Au2\n1.0\n0.000000 3.143824 3.143824\n3.143824 0.000000 3.143824\n3.143824 3.143824 0.000000\nLi Al Au\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Li\n0.250001 0.250001 0.250001 Al\n0.000000 0.000000 0.000000 Au\n0.499998 0.499998 0.499998 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Au"
],
"chemical_system": "Al-Au-Li",
"density": 11.432513557799126,
"density_atomic": 0.06436582209830818,
"volume": 62.14478227110436,
"volume_molar": 9.356115658403574,
"formula_full": "Li1 Al1 Au2",
"formula_reduced": "LiAlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6622294850000001,
"spacegroup": 225
},
{
"id": "jvasp-67763",
"created_at": "2022-09-04T14:35:45.344775Z",
"updated_at": "2022-09-04T14:35:45.344791Z",
"structure_string": "Sr1 Be1 Bi1\n1.0\n-1.868722 1.868722 5.769618\n1.868722 -1.868722 5.769618\n1.868722 1.868722 -5.769618\nSr Be Bi\n1 1 1\ndirect\n0.659025 0.659025 0.000000 Sr\n0.969622 0.969622 0.000000 Be\n0.371354 0.371354 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Sr",
"density": 6.29685770512381,
"density_atomic": 0.03722415145105253,
"volume": 80.59283779631123,
"volume_molar": 16.178047115241146,
"formula_full": "Sr1 Be1 Bi1",
"formula_reduced": "SrBeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6621555699999999,
"spacegroup": 107
},
{
"id": "jvasp-20273",
"created_at": "2022-09-04T14:37:32.861210Z",
"updated_at": "2022-09-04T14:37:32.861219Z",
"structure_string": "Cu2 Se4\n1.0\n3.799628 0.000000 0.000000\n0.000000 5.068688 0.000000\n0.000000 0.000000 6.252575\nCu Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.186526 0.385001 Se\n0.000000 0.813475 0.615000 Se\n0.500000 0.686526 0.114999 Se\n0.500000 0.313475 0.885001 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.107881551793907,
"density_atomic": 0.04982596307743139,
"volume": 120.41914755718376,
"volume_molar": 12.08635094647618,
"formula_full": "Cu2 Se4",
"formula_reduced": "CuSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6621090611111111,
"spacegroup": 58
}
]
}