Navigation

HEAS Data Platform · Materials Science Database

Tb8TlGa4

Alexandria ALEX

Alex-ID: agm097743822 · Space group: Pm (#6)

Basic Information

Formula
Tb8TlGa4
Alex-ID
agm097743822
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
349.26
ų
Cell a
3.6719
Å
Cell b
10.2397
Å
Cell c
10.4923
Å
α angle
62.29
°
β angle
89.96
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8TlGa4
Tb
8.00 · 61.5%
Tl
1.00 · 7.7%
Ga
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1464
eV/atom
Formation energy
-0.3331
eV/atom
Corrected total energy
-55.8719
eV
Raw total energy
-55.8719
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9712
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Tb3Ga2 Tb5TlGa2

Computed at

2025-06-15 11:19:17

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: agm097743822).

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 agm097743822
data_agm097743822
_cell_length_a     3.67189
_cell_length_b     10.23974
_cell_length_c     10.49226
_cell_angle_alpha  62.29010
_cell_angle_beta   89.95710
_cell_angle_gamma  89.97882
_cell_volume       349.25606
_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 0.23049 0.26923 0.09305 1.00000
  Tb2 Tb 0.23118 0.70920 0.26683 1.00000
  Tb3 Tb 0.23062 0.71997 0.69792 1.00000
  Tb4 Tb 0.73085 0.03082 0.67367 1.00000
  Tb5 Tb 0.73146 0.93476 0.36859 1.00000
  Tb6 Tb 0.73096 0.37492 0.39271 1.00000
  Tb7 Tb 0.23054 0.29597 0.72495 1.00000
  Tb8 Tb 0.73104 0.60572 0.03614 1.00000
  Tl1 Tl 0.72995 0.02526 0.02308 1.00000
  Ga1 Ga 0.23055 0.86540 0.92050 1.00000
  Ga2 Ga 0.73022 0.46018 0.84299 1.00000
  Ga3 Ga 0.73083 0.58474 0.53691 1.00000
  Ga4 Ga 0.23132 0.12382 0.42267 1.00000
Get direct link