Navigation

HEAS Data Platform · Materials Science Database

TbDy4

Alexandria ALEX

Alex-ID: agm008086396 · Space group: I4/mmm (#139)

Basic Information

Formula
TbDy4
Alex-ID
agm008086396
Elements
2
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
156.31
ų
Cell a
12.7503
Å
Cell b
12.7503
Å
Cell c
12.7503
Å
α angle
164.06
°
β angle
164.06
°
γ angle
22.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDy4
Tb
1.00 · 20.0%
Dy
4.00 · 80.0%

Energy & Stability

Energy above hull
0.0218
eV/atom
Formation energy
0.0169
eV/atom
Corrected total energy
-22.9626
eV
Raw total energy
-22.9626
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.4088
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_265_spg12

Decomposition

TbDy5 Tb5Dy

Computed at

2025-04-14 13:22:42

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: agm008086396).

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 agm008086396
data_agm008086396
_cell_length_a     12.75030
_cell_length_b     12.75030
_cell_length_c     12.75030
_cell_angle_alpha  164.05976
_cell_angle_beta   164.05976
_cell_angle_gamma  22.61683
_cell_volume       156.31059
_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
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.60028 0.60028 0.00000 1.00000
  Dy2 Dy 0.20013 0.20013 0.00000 1.00000
  Dy3 Dy 0.79987 0.79987 0.00000 1.00000
  Dy4 Dy 0.39972 0.39972 0.00000 1.00000
Get direct link