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Tb2SbTe2

Alexandria ALEX

Alex-ID: agm003398518 · Space group: C2/m (#12)

Basic Information

Formula
Tb2SbTe2
Alex-ID
agm003398518
Elements
3
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
161.08
ų
Cell a
4.7574
Å
Cell b
4.7574
Å
Cell c
7.5247
Å
α angle
79.52
°
β angle
79.52
°
γ angle
76.48
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2SbTe2
Tb
2.00 · 40.0%
Sb
1.00 · 20.0%
Te
2.00 · 40.0%

Energy & Stability

Energy above hull
0.4573
eV/atom
Formation energy
-0.8137
eV/atom
Corrected total energy
-23.7390
eV
Raw total energy
-23.7390
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2018
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB2C2_65_spg12

Decomposition

Tb8Sb7Te TbSbTe Tb2Te3

Computed at

2022-02-11 20:37:48.155499

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: agm003398518).

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 agm003398518
data_agm003398518
_cell_length_a     4.75742
_cell_length_b     4.75742
_cell_length_c     7.52472
_cell_angle_alpha  79.51916
_cell_angle_beta   79.51916
_cell_angle_gamma  76.47690
_cell_volume       161.08363
_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 0.31126 0.31126 0.21551 1.00000
  Tb2 Tb 0.68874 0.68874 0.78449 1.00000
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.25200 0.74800 0.50000 1.00000
  Te2 Te 0.74800 0.25200 0.50000 1.00000
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