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La2TbTe4

Alexandria ALEX

Alex-ID: agm014797481 · Space group: Cmmm (#65)

Basic Information

Formula
La2TbTe4
Alex-ID
agm014797481
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
264.21
ų
Cell a
7.8671
Å
Cell b
4.4819
Å
Cell c
7.8670
Å
α angle
90.00
°
β angle
107.73
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2TbTe4
La
2.00 · 28.6%
Tb
1.00 · 14.3%
Te
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0112
eV/atom
Formation energy
-1.5395
eV/atom
Corrected total energy
-37.8301
eV
Raw total energy
-37.8301
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8863
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_395_spg139

Decomposition

La2(TbTe2)3 La2Te3

Computed at

2025-04-19 09:30:07

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: agm014797481).

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 agm014797481
data_agm014797481
_cell_length_a     7.86708
_cell_length_b     4.48188
_cell_length_c     7.86701
_cell_angle_alpha  90.00000
_cell_angle_beta   107.73136
_cell_angle_gamma  90.00000
_cell_volume       264.20810
_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
  La1 La 0.00000 0.50000 0.50000 1.00000
  La2 La 0.50000 0.50000 0.00000 1.00000
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.23534 0.50000 0.23536 1.00000
  Te2 Te 0.75066 0.00000 0.24935 1.00000
  Te3 Te 0.76466 0.50000 0.76464 1.00000
  Te4 Te 0.24934 0.00000 0.75065 1.00000
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