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Tb5Ho2

Alexandria ALEX

Alex-ID: agm007802576 · Space group: C2/m (#12)

Basic Information

Formula
Tb5Ho2
Alex-ID
agm007802576
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
219.91
ų
Cell a
7.9279
Å
Cell b
7.9279
Å
Cell c
8.6843
Å
α angle
68.64
°
β angle
68.64
°
γ angle
25.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Ho2
Tb
5.00 · 71.4%
Ho
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0235
eV/atom
Formation energy
0.0188
eV/atom
Corrected total energy
-32.1872
eV
Raw total energy
-32.1872
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5594
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_8_spg2

Decomposition

Tb5Ho Tb2Ho

Computed at

2024-08-05 03:13:04.307093

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: agm007802576).

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 agm007802576
data_agm007802576
_cell_length_a     7.92794
_cell_length_b     7.92794
_cell_length_c     8.68426
_cell_angle_alpha  68.64306
_cell_angle_beta   68.64306
_cell_angle_gamma  25.74320
_cell_volume       219.90968
_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 0.71437 0.71437 0.85649 1.00000
  Tb2 Tb 0.28563 0.28563 0.14351 1.00000
  Tb3 Tb 0.00000 0.00000 0.00000 1.00000
  Tb4 Tb 0.42903 0.42903 0.71329 1.00000
  Tb5 Tb 0.57097 0.57097 0.28671 1.00000
  Ho1 Ho 0.14336 0.14336 0.57079 1.00000
  Ho2 Ho 0.85664 0.85664 0.42921 1.00000
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