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=formula_anonymous&page=845",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=843",
"results": [
{
"id": "jvasp-7842",
"created_at": "2022-09-04T14:36:59.300762Z",
"updated_at": "2022-09-04T14:36:59.300792Z",
"structure_string": "Al1 Cr2\n1.0\n2.802135 -0.000000 -0.919656\n-0.301830 2.785831 -0.919656\n0.027108 0.030204 4.811386\nAl Cr\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.315076 0.315075 0.630154 Cr\n0.684922 0.684923 0.369845 Cr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cr"
],
"chemical_system": "Al-Cr",
"density": 5.766642151117678,
"density_atomic": 0.07954464260497396,
"volume": 37.71467067742421,
"volume_molar": 7.5707685178831055,
"formula_full": "Al1 Cr2",
"formula_reduced": "AlCr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2902492000000008,
"spacegroup": 139
},
{
"id": "jvasp-28386",
"created_at": "2022-09-04T14:36:55.411810Z",
"updated_at": "2022-09-04T14:36:55.411835Z",
"structure_string": "Ta2 Se4\n1.0\n3.472666 0.000000 0.000000\n-1.736333 3.007070 0.000000\n-0.000000 0.000000 13.091310\nTa Se\n2 4\ndirect\n0.333361 0.666720 0.250000 Ta\n0.666641 0.333280 0.750000 Ta\n0.333288 0.666574 0.878204 Se\n0.666714 0.333426 0.121796 Se\n0.666714 0.333426 0.378204 Se\n0.333288 0.666574 0.621796 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.23227441629978,
"density_atomic": 0.043889596730474864,
"volume": 136.70665594960647,
"volume_molar": 13.721112082623694,
"formula_full": "Ta2 Se4",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5373353111111108,
"spacegroup": 194
},
{
"id": "jvasp-9116",
"created_at": "2022-09-04T14:37:02.309987Z",
"updated_at": "2022-09-04T14:37:02.310008Z",
"structure_string": "Be8 Fe4\n1.0\n2.084460 -3.610389 -0.000000\n2.084460 3.610389 0.000000\n-0.000000 0.000000 6.788122\nBe Fe\n8 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.829773 0.170227 0.750000 Be\n0.170227 0.340454 0.250000 Be\n0.659547 0.829773 0.250000 Be\n0.340454 0.170227 0.750000 Be\n0.829773 0.659547 0.750000 Be\n0.170227 0.829773 0.250000 Be\n0.333333 0.666667 0.938384 Fe\n0.666667 0.333333 0.438384 Fe\n0.666667 0.333333 0.061616 Fe\n0.333333 0.666667 0.561615 Fe\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Be",
"Fe"
],
"chemical_system": "Be-Fe",
"density": 4.802266428766083,
"density_atomic": 0.117450277808183,
"volume": 102.17089498586044,
"volume_molar": 5.127395926500249,
"formula_full": "Be8 Fe4",
"formula_reduced": "Be2Fe",
"formula_anonymous": "AB2",
"energy_above_hull": 2.013342566666667,
"spacegroup": 194
},
{
"id": "jvasp-8004",
"created_at": "2022-09-04T14:37:01.439400Z",
"updated_at": "2022-09-04T14:37:01.439429Z",
"structure_string": "Ca1 C2\n1.0\n3.422761 0.000000 -1.778490\n-0.924116 3.295649 -1.778490\n0.008498 0.011209 4.199206\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.598340 0.598341 0.196681 C\n0.401659 0.401660 0.803320 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.2406239565545807,
"density_atomic": 0.06315200857385322,
"volume": 47.504427297694654,
"volume_molar": 9.535944930330121,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.380920139999999,
"spacegroup": 139
},
{
"id": "jvasp-54225",
"created_at": "2022-09-04T14:37:05.145212Z",
"updated_at": "2022-09-04T14:37:05.145239Z",
"structure_string": "Si5 O10\n1.0\n6.979828 0.000000 0.000000\n0.000000 6.979828 -0.000000\n0.000000 0.000000 6.476733\nSi O\n5 10\ndirect\n0.269800 0.000000 0.119332 Si\n0.000000 0.269800 0.880668 Si\n0.000000 0.730200 0.880668 Si\n0.730200 0.000000 0.119332 Si\n0.000000 0.000000 0.500000 Si\n0.191717 0.000000 0.356443 O\n0.000000 0.191717 0.643557 O\n0.000000 0.808283 0.643557 O\n0.808283 0.000000 0.356443 O\n0.191027 0.808973 0.000000 O\n0.191027 0.191027 0.000000 O\n0.808973 0.808973 0.000000 O\n0.808973 0.191027 0.000000 O\n0.500000 0.000000 0.120253 O\n0.000000 0.500000 0.879747 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.5810102023385801,
"density_atomic": 0.04753853827756645,
"volume": 315.53347123166674,
"volume_molar": 12.667913188323386,
"formula_full": "Si5 O10",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4100885333333335,
"spacegroup": 115
},
{
"id": "jvasp-78478",
"created_at": "2022-09-04T14:37:02.271428Z",
"updated_at": "2022-09-04T14:37:02.271453Z",
"structure_string": "Mg1 Nb2\n1.0\n2.181056 1.715836 -0.666448\n2.181056 -1.715836 -0.666448\n0.049841 0.000000 -7.633063\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.327572 0.327572 0.344659 Nb\n0.672430 0.672430 0.655341 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.119385272071893,
"density_atomic": 0.05261592283178209,
"volume": 57.016960618390634,
"volume_molar": 11.44547208504417,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.062467247619047,
"spacegroup": 69
},
{
"id": "jvasp-8257",
"created_at": "2022-09-04T14:37:08.373295Z",
"updated_at": "2022-09-04T14:37:08.373317Z",
"structure_string": "Sn1 O2\n1.0\n2.808128 -0.192887 3.686912\n1.105961 2.588366 3.686912\n-0.315166 -0.192887 4.623805\nSn O\n1 2\ndirect\n0.500002 0.499998 0.500000 Sn\n0.756086 0.756083 0.756084 O\n0.243916 0.243913 0.243914 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.410847318790896,
"density_atomic": 0.07685090377861638,
"volume": 39.036626148757726,
"volume_molar": 7.8361352487771905,
"formula_full": "Sn1 O2",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0149562333333335,
"spacegroup": 166
},
{
"id": "jvasp-8130",
"created_at": "2022-09-04T14:37:02.271334Z",
"updated_at": "2022-09-04T14:37:02.271360Z",
"structure_string": "Si2 S4\n1.0\n4.832019 -0.000000 -2.551226\n-1.347005 4.640472 -2.551226\n0.010836 0.014428 5.872053\nSi S\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.352827 0.375000 0.249999 S\n0.125000 0.647173 0.749999 S\n0.625001 0.102827 0.750000 S\n0.897173 0.875000 0.249998 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 2.3196929467966076,
"density_atomic": 0.045446321227177414,
"volume": 132.02388747830994,
"volume_molar": 13.251107234613066,
"formula_full": "Si2 S4",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8234695333333333,
"spacegroup": 122
},
{
"id": "jvasp-22523",
"created_at": "2022-09-04T14:37:02.260378Z",
"updated_at": "2022-09-04T14:37:02.260402Z",
"structure_string": "C4 O8\n1.0\n5.520982 0.000000 -0.000000\n0.000000 5.520982 -0.000000\n-0.000000 -0.000000 5.520982\nC O\n4 8\ndirect\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.122576 0.122576 0.122576 O\n0.377424 0.877424 0.622576 O\n0.622576 0.377424 0.877424 O\n0.877424 0.622576 0.377424 O\n0.877424 0.877424 0.877424 O\n0.622576 0.122576 0.377424 O\n0.377424 0.622576 0.122576 O\n0.122576 0.377424 0.622576 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 1.737026842207272,
"density_atomic": 0.07130701428977017,
"volume": 168.28638976855243,
"volume_molar": 8.44536939315372,
"formula_full": "C4 O8",
"formula_reduced": "CO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7720990000000003,
"spacegroup": 205
},
{
"id": "jvasp-155",
"created_at": "2022-09-04T14:36:58.147946Z",
"updated_at": "2022-09-04T14:36:58.147971Z",
"structure_string": "Pd4 S8\n1.0\n5.532249 0.000000 0.000000\n0.000000 5.612249 0.000000\n0.000000 0.000000 7.553893\nPd S\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.604570 0.109947 0.082911 S\n0.104570 0.390053 0.917088 S\n0.395431 0.609948 0.417089 S\n0.895431 0.890053 0.582911 S\n0.104570 0.109947 0.417089 S\n0.604570 0.390053 0.582911 S\n0.895431 0.609948 0.082911 S\n0.395431 0.890053 0.917088 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 4.8300467414818895,
"density_atomic": 0.0511648572816802,
"volume": 234.53598109217538,
"volume_molar": 11.770072428514823,
"formula_full": "Pd4 S8",
"formula_reduced": "PdS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5107585666666663,
"spacegroup": 61
},
{
"id": "jvasp-78649",
"created_at": "2022-09-04T14:37:11.356398Z",
"updated_at": "2022-09-04T14:37:11.356428Z",
"structure_string": "Ge2 W1\n1.0\n3.163448 -0.000000 -1.103473\n-0.384913 3.139943 -1.103473\n-0.105855 -0.119623 4.782776\nGe W\n2 1\ndirect\n0.338303 0.338302 0.676605 Ge\n0.661700 0.661698 0.323398 Ge\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"W"
],
"chemical_system": "Ge-W",
"density": 11.709637097719364,
"density_atomic": 0.06427784656844289,
"volume": 46.6723787456944,
"volume_molar": 9.368921147020133,
"formula_full": "Ge2 W1",
"formula_reduced": "Ge2W",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8534672999999997,
"spacegroup": 139
},
{
"id": "jvasp-7902",
"created_at": "2022-09-04T14:37:05.160802Z",
"updated_at": "2022-09-04T14:37:05.160823Z",
"structure_string": "Sr2 S4\n1.0\n5.189528 0.005304 -2.539649\n-3.170575 4.779208 -0.698330\n0.003519 -0.005304 5.777630\nSr S\n2 4\ndirect\n-0.000000 0.750001 0.750000 Sr\n-0.000000 0.250000 0.250000 Sr\n0.253914 0.376957 0.876957 S\n0.500000 0.876957 0.623043 S\n0.746086 0.623043 0.123043 S\n0.500000 0.123043 0.376957 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"S"
],
"chemical_system": "S-Sr",
"density": 3.5151038010701665,
"density_atomic": 0.04184866533780088,
"volume": 143.37374804114353,
"volume_molar": 14.390281533209011,
"formula_full": "Sr2 S4",
"formula_reduced": "SrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9194333333333332,
"spacegroup": 140
}
]
}