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Tb8Bi4Sb3Te

Alexandria ALEX

Alex-ID: agm053835239 · Space group: R-3m (#166)

Basic Information

Formula
Tb8Bi4Sb3Te
Alex-ID
agm053835239
Elements
4
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
496.19
ų
Cell a
8.8866
Å
Cell b
8.8866
Å
Cell c
8.8866
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Bi4Sb3Te
Tb
8.00 · 50.0%
Bi
4.00 · 25.0%
Sb
3.00 · 18.8%
Te
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0029
eV/atom
Formation energy
-1.0538
eV/atom
Corrected total energy
-84.9528
eV
Raw total energy
-84.9528
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4770
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4D8_20_spg12

Decomposition

Tb4Sb3Te TbBi

Computed at

2025-01-21 20:15:32

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: agm053835239).

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 agm053835239
data_agm053835239
_cell_length_a     8.88657
_cell_length_b     8.88657
_cell_length_c     8.88657
_cell_angle_alpha  59.99639
_cell_angle_beta   59.99639
_cell_angle_gamma  59.99639
_cell_volume       496.19394
_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 0.74471 0.25100 0.25100 1.00000
  Tb2 Tb 0.25100 0.74471 0.25100 1.00000
  Tb3 Tb 0.25209 0.25209 0.25209 1.00000
  Tb4 Tb 0.25100 0.25100 0.74471 1.00000
  Tb5 Tb 0.74900 0.74900 0.25529 1.00000
  Tb6 Tb 0.74791 0.74791 0.74791 1.00000
  Tb7 Tb 0.74900 0.25529 0.74900 1.00000
  Tb8 Tb 0.25529 0.74900 0.74900 1.00000
  Bi1 Bi 0.50000 0.50000 0.50000 1.00000
  Bi2 Bi 0.00000 0.00000 0.50000 1.00000
  Bi3 Bi 0.00000 0.50000 0.00000 1.00000
  Bi4 Bi 0.50000 0.00000 0.00000 1.00000
  Sb1 Sb 0.50000 0.00000 0.50000 1.00000
  Sb2 Sb 0.00000 0.50000 0.50000 1.00000
  Sb3 Sb 0.50000 0.50000 0.00000 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
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