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=4199",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4197",
"results": [
{
"id": "jvasp-57742",
"created_at": "2022-09-04T14:37:54.414473Z",
"updated_at": "2022-09-04T14:37:54.414495Z",
"structure_string": "Al1 Mo4 S8\n1.0\n5.999054 0.000000 3.463556\n1.999684 5.655962 3.463556\n-0.000000 -0.000000 6.927111\nAl Mo S\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.397638 0.807083 0.397640 Mo\n0.807082 0.397639 0.397640 Mo\n0.397638 0.397639 0.807084 Mo\n0.397638 0.397639 0.397640 Mo\n0.134288 0.597133 0.134289 S\n0.597133 0.134288 0.134289 S\n0.134288 0.134288 0.597134 S\n0.633975 0.633976 0.633977 S\n0.633975 0.633976 0.098072 S\n0.098070 0.633976 0.633977 S\n0.633976 0.098070 0.633977 S\n0.134288 0.134288 0.134289 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Al",
"Mo",
"S"
],
"chemical_system": "Al-Mo-S",
"density": 4.71415425223774,
"density_atomic": 0.05530978258227551,
"volume": 235.03979572984184,
"volume_molar": 10.88802103143657,
"formula_full": "Al1 Mo4 S8",
"formula_reduced": "Al(MoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.781535107692308,
"spacegroup": 216
},
{
"id": "jvasp-92697",
"created_at": "2022-09-04T14:35:53.082450Z",
"updated_at": "2022-09-04T14:35:53.082469Z",
"structure_string": "Hf2 Pt3\n1.0\n0.000000 2.460646 2.460610\n0.000000 -2.460646 2.460610\n7.367539 -0.000000 -2.460610\nHf Pt\n2 3\ndirect\n0.389070 0.889071 0.778142 Hf\n0.610930 0.110929 0.221858 Hf\n-0.000000 0.500000 0.000000 Pt\n0.805832 0.305831 0.611663 Pt\n0.194168 0.694169 0.388337 Pt\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hf",
"Pt"
],
"chemical_system": "Hf-Pt",
"density": 17.537294083206735,
"density_atomic": 0.05604355060912992,
"volume": 89.21633168590611,
"volume_molar": 10.745466150067493,
"formula_full": "Hf2 Pt3",
"formula_reduced": "Hf2Pt3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.78160004,
"spacegroup": 139
},
{
"id": "jvasp-42047",
"created_at": "2022-09-04T14:37:44.537793Z",
"updated_at": "2022-09-04T14:37:44.537824Z",
"structure_string": "Al1 Cr1 Ru2\n1.0\n-0.000000 2.985767 2.985767\n2.985767 0.000000 2.985767\n2.985767 2.985767 0.000000\nAl Cr Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Al\n0.750002 0.750002 0.750002 Cr\n0.000000 0.000000 0.000000 Ru\n0.500002 0.500002 0.500002 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Ru"
],
"chemical_system": "Al-Cr-Ru",
"density": 8.768785704539749,
"density_atomic": 0.07513845390598421,
"volume": 53.23505864260843,
"volume_molar": 8.014725412816063,
"formula_full": "Al1 Cr1 Ru2",
"formula_reduced": "AlCrRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.781750300000001,
"spacegroup": 225
},
{
"id": "jvasp-27060",
"created_at": "2022-09-04T14:38:34.674315Z",
"updated_at": "2022-09-04T14:38:34.674336Z",
"structure_string": "Hf10 Sn8\n1.0\n4.373722 -7.575508 -0.000000\n4.373722 7.575508 -0.000000\n0.000000 -0.000000 5.898696\nHf Sn\n10 8\ndirect\n0.333333 0.666667 0.000000 Hf\n0.717009 -0.000000 0.750001 Hf\n-0.000000 0.282991 0.250000 Hf\n-0.000000 0.717009 0.750001 Hf\n0.282991 0.282991 0.750001 Hf\n0.717009 0.717009 0.250000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Hf\n0.282991 -0.000000 0.250000 Hf\n0.385482 0.385482 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.614518 -0.000000 0.250000 Sn\n0.614518 0.614518 0.750001 Sn\n-0.000000 0.385482 0.750001 Sn\n-0.000000 0.614518 0.250000 Sn\n0.385482 -0.000000 0.750001 Sn\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Hf",
"Sn"
],
"chemical_system": "Hf-Sn",
"density": 11.616914259920406,
"density_atomic": 0.04604935573641388,
"volume": 390.8849475122268,
"volume_molar": 13.077578749354677,
"formula_full": "Hf10 Sn8",
"formula_reduced": "Hf5Sn4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.781894644444445,
"spacegroup": 193
},
{
"id": "jvasp-91579",
"created_at": "2022-09-04T14:36:21.737889Z",
"updated_at": "2022-09-04T14:36:21.737914Z",
"structure_string": "Nb1 Ni3 H2 C2\n1.0\n4.298933 0.000000 0.000000\n0.000000 4.298933 0.000000\n-2.149467 -2.149467 3.822156\nNb Ni H C\n1 3 2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.749999 0.500001 Ni\n0.749999 0.250000 0.500001 Ni\n0.500000 0.500000 0.000000 Ni\n0.743409 0.743409 0.486821 H\n0.256590 0.256590 0.513180 H\n0.000000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nb",
"Ni",
"H",
"C"
],
"chemical_system": "C-H-Nb-Ni",
"density": 6.935479247032683,
"density_atomic": 0.11325574081533124,
"volume": 70.63659592359537,
"volume_molar": 5.317294043239168,
"formula_full": "Nb1 Ni3 H2 C2",
"formula_reduced": "NbNi3(HC)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 3.782002075,
"spacegroup": 139
},
{
"id": "jvasp-20297",
"created_at": "2022-09-04T14:38:31.504117Z",
"updated_at": "2022-09-04T14:38:31.504127Z",
"structure_string": "U3 O8\n1.0\n3.414414 -5.913939 -0.000000\n3.414414 5.913939 0.000000\n-0.000000 -0.000000 4.162483\nU O\n3 8\ndirect\n0.647356 -0.000000 0.000000 U\n0.352643 0.352643 0.000000 U\n-0.000000 0.647356 0.000000 U\n0.639188 -0.000000 0.500000 O\n0.360811 0.360811 0.500000 O\n-0.000000 0.639188 0.500000 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n-0.000000 0.253914 0.000000 O\n0.746085 0.746085 0.000000 O\n0.253914 -0.000000 0.000000 O\n",
"nsites": 11,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.318173180503626,
"density_atomic": 0.0654360683811336,
"volume": 168.10300912228246,
"volume_molar": 9.203090755581355,
"formula_full": "U3 O8",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7820450909090906,
"spacegroup": 189
},
{
"id": "jvasp-57874",
"created_at": "2022-09-04T14:37:57.269921Z",
"updated_at": "2022-09-04T14:37:57.269943Z",
"structure_string": "U3 O8\n1.0\n4.162867 0.000000 0.000000\n0.000000 6.097631 -3.424054\n0.000000 -0.205561 6.775357\nU O\n3 8\ndirect\n0.000000 0.681666 0.363331 U\n0.000000 0.318334 0.636670 U\n0.000000 0.000000 0.000000 U\n0.000002 0.332717 0.295171 O\n0.000002 0.667283 0.704830 O\n0.999999 0.037546 0.704829 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.314128 0.628256 O\n0.500000 0.685872 0.371746 O\n0.999999 0.962454 0.295172 O\n",
"nsites": 11,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.271424832088828,
"density_atomic": 0.06506831598439995,
"volume": 169.0530918709689,
"volume_molar": 9.255104683274423,
"formula_full": "U3 O8",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7824014545454543,
"spacegroup": 65
},
{
"id": "jvasp-75597",
"created_at": "2022-09-04T14:36:03.625354Z",
"updated_at": "2022-09-04T14:36:03.625375Z",
"structure_string": "Zr1 Mn2 As1\n1.0\n-0.000000 3.158167 3.158167\n3.158167 0.000000 3.158167\n3.158167 3.158167 0.000000\nZr Mn As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"As"
],
"chemical_system": "As-Mn-Zr",
"density": 7.275402729819364,
"density_atomic": 0.06349283542145033,
"volume": 62.99923406237809,
"volume_molar": 9.48475638239569,
"formula_full": "Zr1 Mn2 As1",
"formula_reduced": "ZrMn2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.782667683189656,
"spacegroup": 216
},
{
"id": "jvasp-11986",
"created_at": "2022-09-04T14:37:00.446108Z",
"updated_at": "2022-09-04T14:37:00.446129Z",
"structure_string": "Nb2 Co6\n1.0\n5.182620 0.000010 0.000000\n-2.591301 4.488266 0.000000\n0.000000 0.000000 4.145063\nNb Co\n2 6\ndirect\n0.666667 0.333336 0.250000 Nb\n0.333341 0.666673 0.749998 Nb\n0.314953 0.157478 0.749998 Co\n0.842523 0.685041 0.749998 Co\n0.157476 0.842525 0.250000 Co\n0.685043 0.842525 0.250000 Co\n0.157472 0.314947 0.250000 Co\n0.842529 0.157481 0.749998 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 9.289879289479579,
"density_atomic": 0.08297178113059264,
"volume": 96.41832308515201,
"volume_molar": 7.258058918274286,
"formula_full": "Nb2 Co6",
"formula_reduced": "NbCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.782678025,
"spacegroup": 194
},
{
"id": "jvasp-111792",
"created_at": "2022-09-04T14:38:41.397955Z",
"updated_at": "2022-09-04T14:38:41.397984Z",
"structure_string": "Nb6 Zn1 S8\n1.0\n9.713518 0.000000 -0.000000\n-4.856759 8.412154 0.000000\n-0.000000 0.000000 3.384998\nNb Zn S\n6 1 8\ndirect\n0.112697 0.627238 0.249628 Nb\n0.514540 0.887303 0.249628 Nb\n0.372762 0.485459 0.249628 Nb\n0.887303 0.372762 0.750372 Nb\n0.485460 0.112697 0.750372 Nb\n0.627238 0.514540 0.750372 Nb\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.250103 S\n0.333333 0.666667 0.749897 S\n0.285856 0.941929 0.250566 S\n0.656073 0.714144 0.250566 S\n0.058070 0.343926 0.250566 S\n0.714144 0.058071 0.749434 S\n0.343926 0.285856 0.749434 S\n0.941929 0.656073 0.749434 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"S"
],
"chemical_system": "Nb-S-Zn",
"density": 5.279310665794967,
"density_atomic": 0.05423118305500321,
"volume": 276.59363404973965,
"volume_molar": 11.104571983783075,
"formula_full": "Nb6 Zn1 S8",
"formula_reduced": "Nb6ZnS8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.78293112,
"spacegroup": 147
},
{
"id": "jvasp-70418",
"created_at": "2022-09-04T14:36:15.514290Z",
"updated_at": "2022-09-04T14:36:15.514309Z",
"structure_string": "Be2 Nb1 Os1\n1.0\n2.973935 0.000000 -0.000000\n0.000000 2.973935 0.000000\n0.000000 0.000000 5.849882\nBe Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.002766 Be\n0.499999 0.499999 0.199130 Be\n0.000000 0.000000 0.505191 Nb\n0.499999 0.499999 0.792911 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Os"
],
"chemical_system": "Be-Nb-Os",
"density": 9.665791188094339,
"density_atomic": 0.0773125399259705,
"volume": 51.73804927156891,
"volume_molar": 7.789345384030086,
"formula_full": "Be2 Nb1 Os1",
"formula_reduced": "Be2NbOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.783201650000001,
"spacegroup": 99
},
{
"id": "jvasp-69534",
"created_at": "2022-09-04T14:36:16.622552Z",
"updated_at": "2022-09-04T14:36:16.622567Z",
"structure_string": "Be2 Nb1 Os1\n1.0\n2.972370 -0.000000 -0.000000\n-0.000000 2.972370 0.000000\n-0.000000 -0.000000 5.855091\nBe Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.003000 Be\n0.500000 0.500000 0.198918 Be\n0.000000 0.000000 0.505102 Nb\n0.500000 0.500000 0.792979 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Os"
],
"chemical_system": "Be-Nb-Os",
"density": 9.667363993757794,
"density_atomic": 0.07732512012745481,
"volume": 51.72963188944045,
"volume_molar": 7.788078117529878,
"formula_full": "Be2 Nb1 Os1",
"formula_reduced": "Be2NbOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.78332915,
"spacegroup": 99
}
]
}