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Tb8Al4Ga

Alexandria ALEX

Alex-ID: agm097892995 · Space group: P1 (#1)

Basic Information

Formula
Tb8Al4Ga
Alex-ID
agm097892995
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
344.31
ų
Cell a
3.7457
Å
Cell b
9.7297
Å
Cell c
10.6966
Å
α angle
62.10
°
β angle
88.49
°
γ angle
88.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Al4Ga
Tb
8.00 · 61.5%
Al
4.00 · 30.8%
Ga
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1400
eV/atom
Formation energy
-0.2227
eV/atom
Corrected total energy
-57.9658
eV
Raw total energy
-57.9658
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.9596
Total magnetisation
-0.0017
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

Tb2Al Tb3Ga2 TbAl

Computed at

2025-06-02 05:34:36

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: agm097892995).

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 agm097892995
data_agm097892995
_cell_length_a     3.74574
_cell_length_b     9.72973
_cell_length_c     10.69660
_cell_angle_alpha  62.09702
_cell_angle_beta   88.49493
_cell_angle_gamma  88.15030
_cell_volume       344.30843
_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 0.69429 0.17333 0.14644 1.00000
  Tb2 Tb 0.69729 0.66467 0.15549 1.00000
  Tb3 Tb 0.72621 0.63536 0.71365 1.00000
  Tb4 Tb 0.58368 0.21870 0.61191 1.00000
  Tb5 Tb 0.35615 0.81156 0.40044 1.00000
  Tb6 Tb 0.18359 0.31960 0.32757 1.00000
  Tb7 Tb 0.17641 0.30916 0.83290 1.00000
  Tb8 Tb 0.20136 0.87252 0.80774 1.00000
  Al1 Al 0.17931 0.94487 0.09544 1.00000
  Al2 Al 0.20273 0.50267 0.00013 1.00000
  Al3 Al 0.97775 0.51479 0.49121 1.00000
  Al4 Al 0.82596 0.99513 0.50444 1.00000
  Ga1 Ga 0.69528 0.03763 0.91263 1.00000
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