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=3874",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=3872",
"results": [
{
"id": "jvasp-67692",
"created_at": "2022-09-04T14:36:06.336964Z",
"updated_at": "2022-09-04T14:36:06.337001Z",
"structure_string": "Na1 Be1 W2\n1.0\n-2.212730 2.212730 3.129822\n2.212730 -2.212730 3.129822\n2.212730 2.212730 -3.129822\nNa Be W\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 W\n0.250000 0.750000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"W"
],
"chemical_system": "Be-Na-W",
"density": 10.82747416397387,
"density_atomic": 0.06525646034746037,
"volume": 61.296613066382335,
"volume_molar": 9.228420799925242,
"formula_full": "Na1 Be1 W2",
"formula_reduced": "NaBeW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.454513775,
"spacegroup": 216
},
{
"id": "jvasp-71484",
"created_at": "2022-09-04T14:36:06.334544Z",
"updated_at": "2022-09-04T14:36:06.334563Z",
"structure_string": "Be2 Fe1 Bi1\n1.0\n3.088795 -0.000000 -0.000000\n0.000000 3.088795 0.000000\n-0.000000 0.000000 6.192505\nBe Fe Bi\n2 1 1\ndirect\n0.000000 0.000000 0.977183 Be\n0.500001 0.500001 0.161229 Be\n0.500001 0.500001 0.837208 Fe\n0.000000 0.000000 0.524383 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Bi"
],
"chemical_system": "Be-Bi-Fe",
"density": 7.94987648249804,
"density_atomic": 0.06770417559020703,
"volume": 59.08055101668758,
"volume_molar": 8.89478486002134,
"formula_full": "Be2 Fe1 Bi1",
"formula_reduced": "Be2FeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1338655,
"spacegroup": 99
},
{
"id": "jvasp-64697",
"created_at": "2022-09-04T14:36:06.333649Z",
"updated_at": "2022-09-04T14:36:06.333674Z",
"structure_string": "Ba4 Sr1 W1\n1.0\n0.000000 4.990071 4.990071\n4.990071 0.000000 4.990071\n4.990071 4.990071 -0.000000\nBa Sr W\n4 1 1\ndirect\n0.117986 0.627338 0.627338 Ba\n0.627338 0.627338 0.627338 Ba\n0.627338 0.117986 0.627338 Ba\n0.627338 0.627338 0.117986 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"W"
],
"chemical_system": "Ba-Sr-W",
"density": 5.484276506149736,
"density_atomic": 0.024143547334843585,
"volume": 248.5136055935283,
"volume_molar": 24.94306522765585,
"formula_full": "Ba4 Sr1 W1",
"formula_reduced": "Ba4SrW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3808916983333333,
"spacegroup": 216
},
{
"id": "jvasp-96599",
"created_at": "2022-09-04T14:36:06.333444Z",
"updated_at": "2022-09-04T14:36:06.333479Z",
"structure_string": "Na4 Cd4 P4 O16\n1.0\n5.083198 0.000000 0.000000\n0.000000 6.561643 0.000000\n0.000000 0.000000 10.909231\nNa Cd P O\n4 4 4 16\ndirect\n0.499996 0.499588 -0.000004 Na\n0.500005 0.999588 0.000004 Na\n-0.000005 0.999588 0.500004 Na\n0.000005 0.499588 0.499996 Na\n0.020475 0.249584 0.214553 Cd\n0.479525 0.249584 0.714553 Cd\n0.520475 0.749584 0.285447 Cd\n0.979526 0.749584 0.785447 Cd\n0.569955 0.249585 0.397881 P\n0.930046 0.249585 0.897881 P\n0.430046 0.749585 0.602119 P\n0.069954 0.749585 0.102119 P\n0.766689 0.749585 0.103888 O\n0.233311 0.249585 0.896112 O\n0.193866 0.561451 0.169756 O\n0.306134 0.937714 0.669761 O\n0.693866 0.437714 0.330239 O\n0.193866 0.937714 0.169761 O\n0.806134 0.437714 0.830239 O\n0.820681 0.249591 0.030939 O\n0.179320 0.749591 0.969061 O\n0.679320 0.249591 0.530939 O\n0.320680 0.749591 0.469061 O\n0.693867 0.061451 0.330244 O\n0.306134 0.561451 0.669755 O\n0.806134 0.061451 0.830244 O\n0.266689 0.249585 0.396112 O\n0.733312 0.749585 0.603888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-Na-O-P",
"density": 4.205283377015594,
"density_atomic": 0.07695100014955003,
"volume": 363.86791523935415,
"volume_molar": 7.825942155782642,
"formula_full": "Na4 Cd4 P4 O16",
"formula_reduced": "NaCdPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.329551178571428,
"spacegroup": 62
},
{
"id": "jvasp-97479",
"created_at": "2022-09-04T14:36:06.333293Z",
"updated_at": "2022-09-04T14:36:06.333317Z",
"structure_string": "K8 Hg4 Cl16\n1.0\n7.826923 -0.000000 0.000000\n-0.000000 9.539849 0.000000\n0.000000 0.000000 11.663464\nK Hg Cl\n8 4 16\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.249580 0.250000 0.734876 Hg\n0.750420 0.750000 0.265123 Hg\n0.749580 0.750000 0.765123 Hg\n0.250420 0.250000 0.234876 Hg\n0.249960 0.750000 0.474624 Cl\n0.250418 0.001500 0.234285 Cl\n0.750039 0.250000 0.525376 Cl\n0.749958 0.750000 0.517879 Cl\n0.249582 0.001500 0.734285 Cl\n0.750418 -0.001500 0.265714 Cl\n0.249958 0.250000 0.982120 Cl\n0.749960 0.250000 0.025376 Cl\n0.249582 0.498500 0.734285 Cl\n0.250039 0.750000 0.974624 Cl\n0.750041 0.750000 0.017879 Cl\n0.749581 -0.001500 0.765714 Cl\n0.749581 0.501500 0.765714 Cl\n0.750418 0.501500 0.265714 Cl\n0.250418 0.498500 0.234285 Cl\n0.250041 0.250000 0.482120 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-K",
"density": 3.207870268674187,
"density_atomic": 0.03215125398209994,
"volume": 870.883605833504,
"volume_molar": 18.73065592823471,
"formula_full": "K8 Hg4 Cl16",
"formula_reduced": "K2HgCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 59
},
{
"id": "jvasp-91854",
"created_at": "2022-09-04T14:36:06.333079Z",
"updated_at": "2022-09-04T14:36:06.333104Z",
"structure_string": "Co1 Cu2 Sn1 S4\n1.0\n4.951068 0.000061 -2.214575\n-0.990477 4.850984 -2.214575\n-0.035154 -0.043059 6.563313\nCo Cu Sn S\n1 2 1 4\ndirect\n0.000008 0.000008 0.000009 Co\n0.749996 0.250000 0.500003 Cu\n0.250000 0.749995 0.500005 Cu\n0.500002 0.500001 -0.000007 Sn\n0.640675 0.097065 0.737747 S\n0.902933 0.902931 0.262248 S\n0.097067 0.640674 0.737748 S\n0.359320 0.359320 0.262238 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Sn",
"S"
],
"chemical_system": "Co-Cu-S-Sn",
"density": 4.588687054424423,
"density_atomic": 0.051055937200196015,
"volume": 156.6908853054858,
"volume_molar": 11.79518208898314,
"formula_full": "Co1 Cu2 Sn1 S4",
"formula_reduced": "CoCu2SnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4739129375,
"spacegroup": 121
},
{
"id": "jvasp-63516",
"created_at": "2022-09-04T14:36:06.330951Z",
"updated_at": "2022-09-04T14:36:06.330967Z",
"structure_string": "K2 Zn2 As2\n1.0\n2.132280 -3.693218 -0.000000\n2.132280 3.693218 -0.000000\n0.000000 0.000000 10.139648\nK Zn As\n2 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Zn",
"As"
],
"chemical_system": "As-K-Zn",
"density": 3.731379631639341,
"density_atomic": 0.03757069242217032,
"volume": 159.69894652405776,
"volume_molar": 16.028825586526477,
"formula_full": "K2 Zn2 As2",
"formula_reduced": "KZnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3333333333365172e-05,
"spacegroup": 194
},
{
"id": "jvasp-69918",
"created_at": "2022-09-04T14:36:06.329196Z",
"updated_at": "2022-09-04T14:36:06.329228Z",
"structure_string": "Y1 Be2 Co1\n1.0\n2.898945 0.000000 0.000000\n0.000000 2.898945 0.000000\n-0.000000 -0.000000 6.319488\nY Be Co\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Y\n0.000000 0.000000 0.834181 Be\n0.000000 0.000000 0.165820 Be\n0.499999 0.499999 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Co"
],
"chemical_system": "Be-Co-Y",
"density": 5.186063612502879,
"density_atomic": 0.07531789021796671,
"volume": 53.10823216667612,
"volume_molar": 7.9956312405620835,
"formula_full": "Y1 Be2 Co1",
"formula_reduced": "YBe2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4598446375,
"spacegroup": 123
},
{
"id": "jvasp-15012",
"created_at": "2022-09-04T14:36:06.323835Z",
"updated_at": "2022-09-04T14:36:06.323853Z",
"structure_string": "Sc1 Pd3\n1.0\n3.996418 0.000000 0.000000\n0.000000 3.996418 -0.000000\n0.000000 0.000000 3.996418\nSc Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Pd"
],
"chemical_system": "Pd-Sc",
"density": 9.475350718478836,
"density_atomic": 0.06266820741952214,
"volume": 63.828217922728335,
"volume_molar": 9.609562819765621,
"formula_full": "Sc1 Pd3",
"formula_reduced": "ScPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6772105875000003,
"spacegroup": 221
},
{
"id": "jvasp-63444",
"created_at": "2022-09-04T14:36:06.321281Z",
"updated_at": "2022-09-04T14:36:06.321306Z",
"structure_string": "U1 Pt4 Au1\n1.0\n0.000000 3.770216 3.770216\n3.770216 0.000000 3.770216\n3.770216 3.770216 -0.000000\nU Pt Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 U\n0.624621 0.624621 0.126141 Pt\n0.126141 0.624621 0.624621 Pt\n0.624621 0.126141 0.624621 Pt\n0.624621 0.624621 0.624621 Pt\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-U",
"density": 18.82847527200628,
"density_atomic": 0.055978667737636455,
"volume": 107.18368697377888,
"volume_molar": 10.757920835531248,
"formula_full": "U1 Pt4 Au1",
"formula_reduced": "UPt4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.029086528333334,
"spacegroup": 216
},
{
"id": "jvasp-69812",
"created_at": "2022-09-04T14:36:06.320261Z",
"updated_at": "2022-09-04T14:36:06.320291Z",
"structure_string": "Be2 Hg1 Te1\n1.0\n-1.786474 1.786474 6.418912\n1.786474 -1.786474 6.418912\n1.786474 1.786474 -6.418912\nBe Hg Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Hg\n0.749999 0.250000 0.499999 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Te"
],
"chemical_system": "Be-Hg-Te",
"density": 7.015835001295702,
"density_atomic": 0.04881408784222288,
"volume": 81.94355721505681,
"volume_molar": 12.336890898104642,
"formula_full": "Be2 Hg1 Te1",
"formula_reduced": "Be2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8861957583333333,
"spacegroup": 119
},
{
"id": "jvasp-18696",
"created_at": "2022-09-04T14:36:06.318192Z",
"updated_at": "2022-09-04T14:36:06.318218Z",
"structure_string": "Er2 Sn4\n1.0\n4.331922 -0.000000 0.000000\n0.000000 4.241033 -1.147540\n-0.000000 0.010709 8.450269\nEr Sn\n2 4\ndirect\n0.250000 0.901116 0.802234 Er\n0.750000 0.098883 0.197767 Er\n0.250000 0.251289 0.502576 Sn\n0.750000 0.748711 0.497424 Sn\n0.750000 0.436158 0.872317 Sn\n0.250000 0.563841 0.127683 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Sn"
],
"chemical_system": "Er-Sn",
"density": 8.654023110499915,
"density_atomic": 0.03863487751753881,
"volume": 155.30009114889057,
"volume_molar": 15.587316815657484,
"formula_full": "Er2 Sn4",
"formula_reduced": "ErSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4618677999999999,
"spacegroup": 63
}
]
}