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=3828",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=3826",
"results": [
{
"id": "jvasp-97638",
"created_at": "2022-09-04T14:36:07.788844Z",
"updated_at": "2022-09-04T14:36:07.788870Z",
"structure_string": "Ba6 Er2 Mn4 O18\n1.0\n5.817091 -0.000000 0.000000\n-2.908545 5.037659 0.000000\n0.000000 0.000000 14.240759\nBa Er Mn O\n6 2 4 18\ndirect\n0.333296 0.666593 0.091331 Ba\n0.333356 0.666714 0.397160 Ba\n0.666703 0.333407 0.591331 Ba\n0.000012 0.000023 0.744256 Ba\n-0.000012 -0.000023 0.244256 Ba\n0.666643 0.333286 0.897160 Ba\n0.999965 0.999932 0.994259 Er\n0.000034 0.000068 0.494259 Er\n0.333368 0.666735 0.652523 Mn\n0.666685 0.333372 0.335999 Mn\n0.333314 0.666628 0.835999 Mn\n0.666632 0.333265 0.152523 Mn\n0.643443 0.821792 0.583344 O\n0.178353 0.356705 0.583319 O\n0.356557 0.178209 0.083344 O\n0.178347 0.821792 0.583344 O\n0.477931 0.955863 0.744277 O\n0.643357 0.821628 0.905196 O\n0.821653 0.178209 0.083344 O\n0.821646 0.643295 0.083319 O\n0.821730 0.178372 0.405196 O\n0.477925 0.522085 0.744256 O\n0.178270 0.821628 0.905196 O\n0.356642 0.178372 0.405196 O\n0.955840 0.477915 0.244256 O\n0.522068 0.044137 0.244277 O\n0.178271 0.356542 0.905186 O\n0.821728 0.643458 0.405186 O\n0.044159 0.522085 0.744256 O\n0.522074 0.477915 0.244256 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Mn",
"O"
],
"chemical_system": "Ba-Er-Mn-O",
"density": 6.630007794478998,
"density_atomic": 0.07188751867782577,
"volume": 417.3186187500685,
"volume_molar": 8.377171546272292,
"formula_full": "Ba6 Er2 Mn4 O18",
"formula_reduced": "Ba3ErMn2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.365669592850575,
"spacegroup": 194
},
{
"id": "jvasp-92281",
"created_at": "2022-09-04T14:36:07.780120Z",
"updated_at": "2022-09-04T14:36:07.780140Z",
"structure_string": "Ti1 Pb1 O3\n1.0\n3.959631 -0.000000 0.000000\n0.000000 3.959631 0.000000\n-0.000000 -0.000000 3.959631\nTi Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 8.106269179774896,
"density_atomic": 0.08053893032905844,
"volume": 62.08177808634243,
"volume_molar": 7.477304125340751,
"formula_full": "Ti1 Pb1 O3",
"formula_reduced": "TiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9081179306666665,
"spacegroup": 221
},
{
"id": "jvasp-86430",
"created_at": "2022-09-04T14:36:07.777686Z",
"updated_at": "2022-09-04T14:36:07.777714Z",
"structure_string": "Ba1 Mo6 S8\n1.0\n6.691086 0.013752 0.164597\n0.160935 6.689164 0.164597\n0.014058 0.013752 6.693096\nBa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.434145 0.764232 0.583056 Mo\n0.764233 0.583054 0.434146 Mo\n0.583055 0.434145 0.764234 Mo\n0.565855 0.235767 0.416945 Mo\n0.235767 0.416944 0.565855 Mo\n0.416945 0.565854 0.235768 Mo\n0.748086 0.748085 0.748087 S\n0.251914 0.251914 0.251915 S\n0.608412 0.877350 0.263604 S\n0.877351 0.263603 0.608413 S\n0.263603 0.608412 0.877352 S\n0.391588 0.122649 0.736397 S\n0.122649 0.736396 0.391588 S\n0.736397 0.391587 0.122650 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"S"
],
"chemical_system": "Ba-Mo-S",
"density": 5.3747823124508125,
"density_atomic": 0.050079623013701086,
"volume": 299.5230214871268,
"volume_molar": 12.025131975039882,
"formula_full": "Ba1 Mo6 S8",
"formula_reduced": "Ba(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.144000758000001,
"spacegroup": 148
},
{
"id": "jvasp-93721",
"created_at": "2022-09-04T14:36:07.771359Z",
"updated_at": "2022-09-04T14:36:07.771379Z",
"structure_string": "Ce2 Mg4\n1.0\n3.127953 -0.000000 -0.000000\n-1.563976 2.708887 0.000000\n-0.000000 0.000000 17.126065\nCe Mg\n2 4\ndirect\n0.333332 0.666668 0.750000 Ce\n0.666666 0.333333 0.250000 Ce\n0.666666 0.333333 0.922413 Mg\n0.666666 0.333333 0.577587 Mg\n0.333332 0.666668 0.422413 Mg\n0.333332 0.666668 0.077587 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.31918824539277,
"density_atomic": 0.0413468619983703,
"volume": 145.1137936474234,
"volume_molar": 14.564928192706292,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5520384523809525,
"spacegroup": 194
},
{
"id": "jvasp-74540",
"created_at": "2022-09-04T14:36:07.770059Z",
"updated_at": "2022-09-04T14:36:07.770083Z",
"structure_string": "Be2 Fe1 Pb1\n1.0\n-1.828104 1.828104 3.949402\n1.828104 -1.828104 3.949402\n1.828104 1.828104 -3.949402\nBe Fe Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Fe\n0.749999 0.250000 0.499999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Pb"
],
"chemical_system": "Be-Fe-Pb",
"density": 8.840350364548714,
"density_atomic": 0.0757646917099475,
"volume": 52.795040931643115,
"volume_molar": 7.94847919800791,
"formula_full": "Be2 Fe1 Pb1",
"formula_reduced": "Be2FePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.97725963,
"spacegroup": 119
},
{
"id": "jvasp-48721",
"created_at": "2022-09-04T14:36:07.767397Z",
"updated_at": "2022-09-04T14:36:07.767415Z",
"structure_string": "Li2 Co1 Si1 O4\n1.0\n4.341920 0.002434 0.000479\n-0.002436 4.341950 -0.001270\n-2.170229 -2.170867 4.324168\nLi Co Si O\n2 1 1 4\ndirect\n0.748318 0.249609 0.495975 Li\n0.248316 0.749614 0.495969 Li\n0.498287 0.499615 0.995972 Co\n0.998299 -0.000387 0.995972 Si\n0.667089 0.104729 0.769876 O\n0.329514 0.330815 0.222078 O\n0.103399 0.668408 0.769861 O\n0.893194 0.894496 0.222072 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.359198064757166,
"density_atomic": 0.09814322746601184,
"volume": 81.51352066316032,
"volume_molar": 6.136073690959001,
"formula_full": "Li2 Co1 Si1 O4",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2650579375,
"spacegroup": 121
},
{
"id": "jvasp-69525",
"created_at": "2022-09-04T14:36:07.767006Z",
"updated_at": "2022-09-04T14:36:07.767021Z",
"structure_string": "Sc1 Be2 Re1\n1.0\n-1.773582 1.773582 4.208918\n1.773582 -1.773582 4.208918\n1.773582 1.773582 -4.208918\nSc Be Re\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Re"
],
"chemical_system": "Be-Re-Sc",
"density": 7.813434198282586,
"density_atomic": 0.0755313053421174,
"volume": 52.95817385760894,
"volume_molar": 7.973039434076831,
"formula_full": "Sc1 Be2 Re1",
"formula_reduced": "ScBe2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.319371362499999,
"spacegroup": 119
},
{
"id": "jvasp-63587",
"created_at": "2022-09-04T14:36:07.766211Z",
"updated_at": "2022-09-04T14:36:07.766232Z",
"structure_string": "Tb3 In3 Au3\n1.0\n3.892524 -6.742049 -0.000000\n3.892524 6.742049 0.000000\n-0.000000 -0.000000 3.954332\nTb In Au\n3 3 3\ndirect\n0.597092 -0.000000 0.500000 Tb\n-0.000000 0.597092 0.500000 Tb\n0.402907 0.402907 0.500000 Tb\n0.262710 -0.000000 0.000000 In\n-0.000000 0.262710 0.000000 In\n0.737289 0.737289 0.000000 In\n0.333332 0.666667 0.000000 Au\n0.666667 0.333332 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Au"
],
"chemical_system": "Au-In-Tb",
"density": 11.29789082717911,
"density_atomic": 0.04336268652704835,
"volume": 207.55171602170148,
"volume_molar": 13.887840542913708,
"formula_full": "Tb3 In3 Au3",
"formula_reduced": "TbInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1468653133333334,
"spacegroup": 189
},
{
"id": "jvasp-90485",
"created_at": "2022-09-04T14:36:07.765559Z",
"updated_at": "2022-09-04T14:36:07.765572Z",
"structure_string": "Li2 Sb2 Se4\n1.0\n6.574117 0.000000 4.648603\n3.258240 4.025807 9.337957\n-0.028817 0.000000 7.013657\nLi Sb Se\n2 2 4\ndirect\n0.250000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.750000 0.500000 -0.000001 Sb\n0.001418 0.500000 0.497164 Se\n0.498582 0.500000 0.502836 Se\n0.251418 -0.000000 0.497164 Se\n0.748582 -0.000000 0.502836 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Se"
],
"chemical_system": "Li-Sb-Se",
"density": 5.113194061336694,
"density_atomic": 0.042972949478519484,
"volume": 186.1636237931234,
"volume_molar": 14.013794335923428,
"formula_full": "Li2 Sb2 Se4",
"formula_reduced": "LiSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1009582083333336,
"spacegroup": 141
},
{
"id": "jvasp-74963",
"created_at": "2022-09-04T14:36:07.763660Z",
"updated_at": "2022-09-04T14:36:07.763690Z",
"structure_string": "K1 Be1 In2\n1.0\n-2.601718 2.601718 3.684248\n2.601718 -2.601718 3.684248\n2.601718 2.601718 -3.684248\nK Be In\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"In"
],
"chemical_system": "Be-In-K",
"density": 4.623473504798836,
"density_atomic": 0.040098737604390096,
"volume": 99.75376380831678,
"volume_molar": 15.018280174836931,
"formula_full": "K1 Be1 In2",
"formula_reduced": "KBeIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1824492625,
"spacegroup": 216
},
{
"id": "jvasp-74001",
"created_at": "2022-09-04T14:36:07.755342Z",
"updated_at": "2022-09-04T14:36:07.755369Z",
"structure_string": "Be1 In1 Mo2\n1.0\n3.208392 -0.000000 0.000000\n0.000000 3.208392 0.000000\n0.000000 -0.000000 6.209392\nBe In Mo\n1 1 2\ndirect\n0.000000 0.000000 0.460128 Be\n0.500000 0.500000 0.730313 In\n0.000000 0.000000 0.049846 Mo\n0.500000 0.500000 0.259712 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Mo"
],
"chemical_system": "Be-In-Mo",
"density": 8.201886568143776,
"density_atomic": 0.06258007279345117,
"volume": 63.91811037360424,
"volume_molar": 9.623096444576523,
"formula_full": "Be1 In1 Mo2",
"formula_reduced": "BeInMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3792619675000006,
"spacegroup": 99
},
{
"id": "jvasp-86776",
"created_at": "2022-09-04T14:36:07.752383Z",
"updated_at": "2022-09-04T14:36:07.752411Z",
"structure_string": "Be12 Nb1\n1.0\n3.890871 -0.000000 1.588358\n1.945435 5.189068 0.794178\n-0.015759 -0.000000 5.598359\nBe Nb\n12 1\ndirect\n0.499999 0.782121 0.217880 Be\n0.352158 0.647841 0.647841 Be\n-0.000001 0.352160 0.647841 Be\n-0.000001 0.647841 0.352160 Be\n0.717877 0.782121 0.782122 Be\n0.500000 0.000000 0.500000 Be\n0.499999 0.217879 0.782122 Be\n0.647840 0.352160 0.352160 Be\n0.282121 0.217879 0.217879 Be\n0.499999 0.500000 0.000001 Be\n-0.000001 0.500000 0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Nb"
],
"chemical_system": "Be-Nb",
"density": 2.950278402861542,
"density_atomic": 0.11488084965764532,
"volume": 113.16072294678446,
"volume_molar": 5.242075400683831,
"formula_full": "Be12 Nb1",
"formula_reduced": "Be12Nb",
"formula_anonymous": "AB12",
"energy_above_hull": 2.5928955846153845,
"spacegroup": 139
}
]
}