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Tb5Ag2

Alexandria ALEX

Alex-ID: agm010035774 · Space group: I4/mmm (#139)

Basic Information

Formula
Tb5Ag2
Alex-ID
agm010035774
Elements
2
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
194.08
ų
Cell a
15.0558
Å
Cell b
15.0558
Å
Cell c
15.0558
Å
α angle
166.20
°
β angle
166.20
°
γ angle
19.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Ag2
Tb
5.00 · 71.4%
Ag
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0148
eV/atom
Formation energy
-0.1639
eV/atom
Corrected total energy
-30.0115
eV
Raw total energy
-30.0115
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.4535
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B5_20_spg71

Decomposition

TbAg Tb

Computed at

2025-04-17 14:49:20

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: agm010035774).

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 agm010035774
data_agm010035774
_cell_length_a     15.05582
_cell_length_b     15.05582
_cell_length_c     15.05582
_cell_angle_alpha  166.20310
_cell_angle_beta   166.20310
_cell_angle_gamma  19.55950
_cell_volume       194.07707
_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 0.12462 0.12462 0.00000 1.00000
  Tb2 Tb 0.00000 0.00000 0.00000 1.00000
  Tb3 Tb 0.87538 0.87538 0.00000 1.00000
  Tb4 Tb 0.29116 0.29116 0.00000 1.00000
  Tb5 Tb 0.70884 0.70884 0.00000 1.00000
  Ag1 Ag 0.43800 0.43800 0.00000 1.00000
  Ag2 Ag 0.56200 0.56200 0.00000 1.00000
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