Navigation

HEAS Data Platform · Materials Science Database

Dy6Sn8Pb

Alexandria ALEX

Alex-ID: agm072858786 · Space group: R-3 (#148)

Basic Information

Formula
Dy6Sn8Pb
Alex-ID
agm072858786
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
432.41
ų
Cell a
8.0453
Å
Cell b
8.0453
Å
Cell c
8.0453
Å
α angle
68.24
°
β angle
68.24
°
γ angle
68.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Sn8Pb
Dy
6.00 · 40.0%
Sn
8.00 · 53.3%
Pb
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1422
eV/atom
Formation energy
-0.4825
eV/atom
Corrected total energy
-70.5913
eV
Raw total energy
-70.5913
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0533
eV
DOS at Fermi level
9.3680
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

DySn Dy2Pb5 DySn2

Computed at

2024-10-07 07:53:28.312960

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072858786).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm072858786
data_agm072858786
_cell_length_a     8.04525
_cell_length_b     8.04525
_cell_length_c     8.04525
_cell_angle_alpha  68.23694
_cell_angle_beta   68.23694
_cell_angle_gamma  68.23694
_cell_volume       432.40953
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Dy1 Dy 0.66460 0.39620 0.15207 1.00000
  Dy2 Dy 0.15207 0.66460 0.39620 1.00000
  Dy3 Dy 0.39620 0.15207 0.66460 1.00000
  Dy4 Dy 0.33540 0.60380 0.84793 1.00000
  Dy5 Dy 0.84793 0.33540 0.60380 1.00000
  Dy6 Dy 0.60380 0.84793 0.33540 1.00000
  Sn1 Sn 0.29215 0.29215 0.29215 1.00000
  Sn2 Sn 0.70785 0.70785 0.70785 1.00000
  Sn3 Sn 0.04642 0.44049 0.82610 1.00000
  Sn4 Sn 0.82610 0.04642 0.44049 1.00000
  Sn5 Sn 0.44049 0.82610 0.04642 1.00000
  Sn6 Sn 0.95358 0.55951 0.17390 1.00000
  Sn7 Sn 0.17390 0.95358 0.55951 1.00000
  Sn8 Sn 0.55951 0.17390 0.95358 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Get direct link