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=nelements&page=942",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=940",
"results": [
{
"id": "jvasp-117493",
"created_at": "2022-09-04T14:38:53.822748Z",
"updated_at": "2022-09-04T14:38:53.822768Z",
"structure_string": "B2 I1\n1.0\n4.025859 0.000000 -2.625510\n0.000000 3.551436 0.000000\n-2.127715 0.000000 5.535417\nB I\n2 1\ndirect\n-0.108037 0.000000 -0.096023 B\n0.216167 0.000000 -0.095950 B\n0.054089 0.000000 0.404039 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"I"
],
"chemical_system": "B-I",
"density": 4.15884034722906,
"density_atomic": 0.05058718889239553,
"volume": 59.303552256705295,
"volume_molar": 11.904477975263166,
"formula_full": "B2 I1",
"formula_reduced": "B2I",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0785871472222226,
"spacegroup": 47
},
{
"id": "jvasp-115596",
"created_at": "2022-09-04T14:38:47.303652Z",
"updated_at": "2022-09-04T14:38:47.303671Z",
"structure_string": "Ba2 O1\n1.0\n7.168259 -0.556272 -0.292917\n-0.483510 -7.200827 2.111278\n0.111950 2.988247 -3.137099\nBa O\n2 1\ndirect\n0.188124 0.593095 -0.002491 Ba\n0.735965 0.929051 0.003115 Ba\n0.081220 0.927669 -0.000021 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 4.103968792980101,
"density_atomic": 0.025509432631286275,
"volume": 117.60355643193031,
"volume_molar": 23.607505690322924,
"formula_full": "Ba2 O1",
"formula_reduced": "Ba2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4281986566666665,
"spacegroup": 156
},
{
"id": "jvasp-117141",
"created_at": "2022-09-04T14:38:48.268204Z",
"updated_at": "2022-09-04T14:38:48.268233Z",
"structure_string": "Yb12 Pd4\n1.0\n6.376897 -0.000000 0.000000\n0.000000 7.550541 0.000000\n-0.000000 -0.000000 9.385513\nYb Pd\n12 4\ndirect\n0.340549 0.673821 0.063849 Yb\n0.159452 0.173821 0.436151 Yb\n0.659452 0.326179 0.563849 Yb\n0.840549 0.826179 0.936151 Yb\n0.659452 0.326179 0.936151 Yb\n0.840549 0.826179 0.563849 Yb\n0.340549 0.673821 0.436151 Yb\n0.159452 0.173821 0.063849 Yb\n0.865038 0.537070 0.250000 Yb\n0.634963 0.037070 0.250000 Yb\n0.134962 0.462930 0.750000 Yb\n0.365038 0.962929 0.750000 Yb\n0.050247 0.879916 0.250000 Pd\n0.449754 0.379916 0.250000 Pd\n0.949754 0.120083 0.750000 Pd\n0.550247 0.620083 0.750000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Pd"
],
"chemical_system": "Pd-Yb",
"density": 9.19430034565374,
"density_atomic": 0.03540580675280747,
"volume": 451.9032742766495,
"volume_molar": 17.00890704749294,
"formula_full": "Yb12 Pd4",
"formula_reduced": "Yb3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-122921",
"created_at": "2022-09-04T14:38:55.328149Z",
"updated_at": "2022-09-04T14:38:55.328175Z",
"structure_string": "V1 B1\n1.0\n2.662902 -0.000000 0.000000\n-0.000000 2.662902 0.000000\n-0.000000 -0.000000 2.662902\nV B\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"B"
],
"chemical_system": "B-V",
"density": 5.430478395814106,
"density_atomic": 0.10591670071667718,
"volume": 18.882763402439412,
"volume_molar": 5.685732957363333,
"formula_full": "V1 B1",
"formula_reduced": "VB",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-107191",
"created_at": "2022-09-04T14:38:47.054799Z",
"updated_at": "2022-09-04T14:38:47.054826Z",
"structure_string": "Lu6 Th2\n1.0\n7.007651 -0.000000 0.000000\n-3.503825 6.068804 0.000000\n-0.000000 0.000000 5.596733\nLu Th\n6 2\ndirect\n0.166072 0.332145 0.250000 Lu\n0.667854 0.833927 0.250000 Lu\n0.166072 0.833927 0.250000 Lu\n0.833926 0.667854 0.750000 Lu\n0.332145 0.166073 0.750000 Lu\n0.833927 0.166073 0.750000 Lu\n0.333333 0.666666 0.750000 Th\n0.666666 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Th"
],
"chemical_system": "Lu-Th",
"density": 10.56160314228664,
"density_atomic": 0.03361087525121954,
"volume": 238.01819917527223,
"volume_molar": 17.917238735940067,
"formula_full": "Lu6 Th2",
"formula_reduced": "Lu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8465807125000004,
"spacegroup": 194
},
{
"id": "jvasp-117474",
"created_at": "2022-09-04T14:38:50.070356Z",
"updated_at": "2022-09-04T14:38:50.070376Z",
"structure_string": "B2 H1\n1.0\n3.910231 0.837126 -0.302289\n-3.809547 -4.165696 0.657711\n-0.669166 0.755235 -1.441237\nB H\n2 1\ndirect\n0.584426 0.327491 0.182213 B\n0.416714 0.938062 0.403653 B\n0.000620 0.132801 0.792966 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.0555180441605003,
"density_atomic": 0.16410055441064642,
"volume": 18.281473885169078,
"volume_molar": 3.669786967891742,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.545338388888889,
"spacegroup": 71
},
{
"id": "jvasp-118752",
"created_at": "2022-09-04T14:38:50.072906Z",
"updated_at": "2022-09-04T14:38:50.072928Z",
"structure_string": "N1 Cl2\n1.0\n6.171361 0.000000 0.000000\n0.000000 3.759410 0.000000\n0.000000 0.000000 3.136005\nN Cl\n1 2\ndirect\n0.000000 0.274317 0.000000 N\n0.229401 0.022841 0.000000 Cl\n0.770599 0.022841 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 1.9379579862599947,
"density_atomic": 0.0412328984389507,
"volume": 72.75743674536464,
"volume_molar": 14.605184180579403,
"formula_full": "N1 Cl2",
"formula_reduced": "NCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8451804616666665,
"spacegroup": 25
},
{
"id": "jvasp-118636",
"created_at": "2022-09-04T14:38:48.281244Z",
"updated_at": "2022-09-04T14:38:48.281275Z",
"structure_string": "Li1 Sb2\n1.0\n6.096883 0.000000 -0.158588\n0.000000 3.053880 0.000000\n0.115306 0.000000 4.744336\nLi Sb\n1 2\ndirect\n0.082091 0.000000 0.419605 Li\n-0.172000 0.000000 -0.080885 Sb\n0.336195 0.000000 -0.079948 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 4.705215032549092,
"density_atomic": 0.033939975375652194,
"volume": 88.39134285737094,
"volume_molar": 17.743503621750286,
"formula_full": "Li1 Sb2",
"formula_reduced": "LiSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.128604066666667,
"spacegroup": 47
},
{
"id": "jvasp-118388",
"created_at": "2022-09-04T14:38:50.083137Z",
"updated_at": "2022-09-04T14:38:50.083159Z",
"structure_string": "Ge1 P1\n1.0\n6.193037 0.000000 -0.000000\n-0.000000 6.193037 -0.000000\n-0.000000 -0.000000 4.381429\nGe P\n1 1\ndirect\n0.000000 0.000000 0.754113 Ge\n0.000000 0.000000 0.245887 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"P"
],
"chemical_system": "Ge-P",
"density": 1.0238666849587212,
"density_atomic": 0.011901641595499227,
"volume": 168.04404534886416,
"volume_molar": 50.59924474853417,
"formula_full": "Ge1 P1",
"formula_reduced": "GeP",
"formula_anonymous": "AB",
"energy_above_hull": 2.174080725,
"spacegroup": 123
},
{
"id": "jvasp-93824",
"created_at": "2022-09-04T14:36:07.510779Z",
"updated_at": "2022-09-04T14:36:07.510807Z",
"structure_string": "Li4 Tl2\n1.0\n-4.687572 -0.000000 0.000000\n-0.000000 -0.000000 -4.799309\n2.343786 -5.041225 0.000000\nLi Tl\n4 2\ndirect\n0.243000 0.750000 0.486001 Li\n0.756999 0.250000 0.514000 Li\n0.581838 0.750000 0.163677 Li\n0.418161 0.250000 0.836324 Li\n0.901375 0.750000 0.802750 Tl\n0.098625 0.250000 0.197251 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Tl"
],
"chemical_system": "Li-Tl",
"density": 6.391474263753753,
"density_atomic": 0.05290399943583873,
"volume": 113.41297565369742,
"volume_molar": 11.383148389950314,
"formula_full": "Li4 Tl2",
"formula_reduced": "Li2Tl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.279958888888889,
"spacegroup": 63
},
{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 10.195472620342674,
"density_atomic": 0.04916277575085554,
"volume": 122.04355649905683,
"volume_molar": 12.249391268138885,
"formula_full": "Zr4 Ir2",
"formula_reduced": "Zr2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.679520033333334,
"spacegroup": 140
},
{
"id": "jvasp-85868",
"created_at": "2022-09-04T14:36:20.461112Z",
"updated_at": "2022-09-04T14:36:20.461134Z",
"structure_string": "Ni4 S8\n1.0\n5.633577 0.000000 0.000000\n-0.000000 5.633577 0.000000\n-0.000000 0.000000 5.633577\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393189 0.106812 0.893189 S\n0.106812 0.893189 0.393189 S\n0.893189 0.393189 0.106812 S\n0.606812 0.606812 0.606812 S\n0.393189 0.393189 0.393189 S\n0.106812 0.606812 0.893189 S\n0.893189 0.106812 0.606812 S\n0.606812 0.893189 0.106812 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.56286374518876,
"density_atomic": 0.06711638275375059,
"volume": 178.79390258601828,
"volume_molar": 8.972683736689419,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3166241333333333,
"spacegroup": 205
}
]
}