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TbDy2

Alexandria ALEX

Alex-ID: agm017669697 · Space group: Imma (#74)

Basic Information

Formula
TbDy2
Alex-ID
agm017669697
Elements
2
Sites
12
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
376.33
ų
Cell a
9.3738
Å
Cell b
9.3738
Å
Cell c
9.3738
Å
α angle
149.11
°
β angle
115.32
°
γ angle
73.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDy2
Tb
4.00 · 33.3%
Dy
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0226
eV/atom
Formation energy
0.0177
eV/atom
Corrected total energy
-55.1467
eV
Raw total energy
-55.1467
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
15.6741
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_2729_spg15

Decomposition

TbDy5 Tb5Dy

Computed at

2025-04-15 10:23:43

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: agm017669697).

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 agm017669697
data_agm017669697
_cell_length_a     9.37377
_cell_length_b     9.37377
_cell_length_c     9.37377
_cell_angle_alpha  149.11186
_cell_angle_beta   115.31535
_cell_angle_gamma  73.39504
_cell_volume       376.33219
_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 0.91665 0.16665 0.75000 1.00000
  Tb2 Tb 0.25016 0.50016 0.75000 1.00000
  Tb3 Tb 0.08335 0.83335 0.25000 1.00000
  Tb4 Tb 0.74984 0.49984 0.25000 1.00000
  Dy1 Dy 0.66650 0.66673 0.99977 1.00000
  Dy2 Dy 0.83304 0.33327 0.49977 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Dy4 Dy 0.33350 0.33327 0.00023 1.00000
  Dy5 Dy 0.50000 0.00000 0.50000 1.00000
  Dy6 Dy 0.16696 0.66673 0.50023 1.00000
  Dy7 Dy 0.58316 0.83316 0.75000 1.00000
  Dy8 Dy 0.41684 0.16684 0.25000 1.00000
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