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Tb2Dy2Tm

Alexandria ALEX

Alex-ID: agm014291197 · Space group: Immm (#71)

Basic Information

Formula
Tb2Dy2Tm
Alex-ID
agm014291197
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
155.39
ų
Cell a
9.3665
Å
Cell b
9.3665
Å
Cell c
4.9772
Å
α angle
74.63
°
β angle
105.37
°
γ angle
158.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Dy2Tm
Tb
2.00 · 40.0%
Dy
2.00 · 40.0%
Tm
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0235
eV/atom
Formation energy
0.0178
eV/atom
Corrected total energy
-22.8546
eV
Raw total energy
-22.8546
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.3171
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_542_spg71

Decomposition

DyTm5 TbDy5 Tb5Dy

Computed at

2025-04-15 03:07:09

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: agm014291197).

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 agm014291197
data_agm014291197
_cell_length_a     9.36649
_cell_length_b     9.36649
_cell_length_c     4.97719
_cell_angle_alpha  74.62919
_cell_angle_beta   105.37081
_cell_angle_gamma  158.30978
_cell_volume       155.39371
_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 0.09922 0.90078 0.09927 1.00000
  Tb2 Tb 0.90078 0.09922 0.90073 1.00000
  Dy1 Dy 0.70011 0.29989 0.70015 1.00000
  Dy2 Dy 0.29989 0.70011 0.29985 1.00000
  Tm1 Tm 0.50000 0.50000 0.50000 1.00000
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