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Tb2Ag5

Alexandria ALEX

Alex-ID: agm005531346 · Space group: Ibam (#72)

Basic Information

Formula
Tb2Ag5
Alex-ID
agm005531346
Elements
2
Sites
14
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
304.10
ų
Cell a
6.0899
Å
Cell b
7.6271
Å
Cell c
8.1658
Å
α angle
117.84
°
β angle
111.89
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ag5
Tb
4.00 · 28.6%
Ag
10.00 · 71.4%

Energy & Stability

Energy above hull
0.0491
eV/atom
Formation energy
-0.2272
eV/atom
Corrected total energy
-50.2221
eV
Raw total energy
-50.2221
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0187
eV
DOS at Fermi level
8.6021
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_27_spg72

Decomposition

TbAg2 Tb14Ag51

Computed at

2023-05-27 14:57:04.494415

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: agm005531346).

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 agm005531346
data_agm005531346
_cell_length_a     6.08995
_cell_length_b     7.62707
_cell_length_c     8.16576
_cell_angle_alpha  117.84070
_cell_angle_beta   111.89430
_cell_angle_gamma  90.00000
_cell_volume       304.10339
_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 0.39828 0.71566 0.79655 1.00000
  Tb2 Tb 0.60172 0.28434 0.20345 1.00000
  Tb3 Tb 0.89828 0.08090 0.79655 1.00000
  Tb4 Tb 0.10172 0.91910 0.20345 1.00000
  Ag1 Ag 0.13350 0.35403 0.26701 1.00000
  Ag2 Ag 0.86650 0.64597 0.73299 1.00000
  Ag3 Ag 0.63350 0.91298 0.26701 1.00000
  Ag4 Ag 0.36650 0.08702 0.73299 1.00000
  Ag5 Ag 0.47075 0.72075 0.44150 1.00000
  Ag6 Ag 0.02925 0.27925 0.55850 1.00000
  Ag7 Ag 0.52925 0.27925 0.55850 1.00000
  Ag8 Ag 0.97075 0.72075 0.44150 1.00000
  Ag9 Ag 0.75000 0.50000 0.00000 1.00000
  Ag10 Ag 0.25000 0.50000 0.00000 1.00000
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