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Tb3Te4

Alexandria ALEX

Alex-ID: agm010148314 · Space group: Cmmm (#65)

Basic Information

Formula
Tb3Te4
Alex-ID
agm010148314
Elements
2
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
232.81
ų
Cell a
7.5068
Å
Cell b
7.5068
Å
Cell c
4.3516
Å
α angle
90.00
°
β angle
90.00
°
γ angle
108.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Te4
Tb
3.00 · 42.9%
Te
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-1.4244
eV/atom
Corrected total energy
-36.4346
eV
Raw total energy
-36.4346
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.9134
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_1992_spg2

Decomposition

Tb3Te4

Computed at

2024-04-11 00:44:07.926791

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: agm010148314).

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 agm010148314
data_agm010148314
_cell_length_a     7.50675
_cell_length_b     7.50675
_cell_length_c     4.35162
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  108.30289
_cell_volume       232.81394
_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 0.00000 0.50000 0.00000 1.00000
  Tb2 Tb 0.00000 0.00000 0.50000 1.00000
  Tb3 Tb 0.50000 0.00000 0.00000 1.00000
  Te1 Te 0.25883 0.74117 0.50000 1.00000
  Te2 Te 0.25219 0.25219 0.00000 1.00000
  Te3 Te 0.74117 0.25883 0.50000 1.00000
  Te4 Te 0.74781 0.74781 0.00000 1.00000
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