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Tb4Te5

Alexandria ALEX

Alex-ID: agm014181748 · Space group: C2/m (#12)

Basic Information

Formula
Tb4Te5
Alex-ID
agm014181748
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
291.33
ų
Cell a
7.5388
Å
Cell b
7.5388
Å
Cell c
10.6976
Å
α angle
61.40
°
β angle
118.60
°
γ angle
146.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Te5
Tb
4.00 · 44.4%
Te
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0168
eV/atom
Formation energy
-1.4002
eV/atom
Corrected total energy
-46.8396
eV
Raw total energy
-46.8396
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0203
eV
DOS at Fermi level
3.9711
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_3_spg12

Decomposition

Tb5Te6 Tb3Te4

Computed at

2024-12-30 04:48:34

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: agm014181748).

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 agm014181748
data_agm014181748
_cell_length_a     7.53884
_cell_length_b     7.53884
_cell_length_c     10.69761
_cell_angle_alpha  61.40296
_cell_angle_beta   118.59704
_cell_angle_gamma  146.40774
_cell_volume       291.32507
_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 0.29917 0.70083 0.69229 1.00000
  Tb2 Tb 0.70083 0.29917 0.30771 1.00000
  Tb3 Tb 0.89744 0.10256 0.09799 1.00000
  Tb4 Tb 0.10256 0.89744 0.90201 1.00000
  Te1 Te 0.69457 0.30543 0.79025 1.00000
  Te2 Te 0.90436 0.09564 0.59972 1.00000
  Te3 Te 0.30543 0.69457 0.20975 1.00000
  Te4 Te 0.09564 0.90436 0.40028 1.00000
  Te5 Te 0.50000 0.50000 0.00000 1.00000
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