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Ce5Sb4Te

Alexandria ALEX

Alex-ID: agm006100686 · Space group: Immm (#71)

Basic Information

Formula
Ce5Sb4Te
Alex-ID
agm006100686
Elements
3
Sites
10
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
322.85
ų
Cell a
4.4961
Å
Cell b
6.3648
Å
Cell c
11.9357
Å
α angle
105.46
°
β angle
100.86
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Sb4Te
Ce
5.00 · 50.0%
Sb
4.00 · 40.0%
Te
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0034
eV/atom
Formation energy
-1.1172
eV/atom
Corrected total energy
-60.4725
eV
Raw total energy
-60.4725
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
34.2854
Total magnetisation
4.7107
μB

Additional Information

Prototype ID

AB4C5_34_spg71

Decomposition

Ce5Sb4Te

Computed at

2023-10-19 15:11:38

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: agm006100686).

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 agm006100686
data_agm006100686
_cell_length_a     4.49613
_cell_length_b     6.36481
_cell_length_c     11.93570
_cell_angle_alpha  105.46377
_cell_angle_beta   100.85639
_cell_angle_gamma  90.00000
_cell_volume       322.85217
_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
  Ce1 Ce 0.60156 0.10156 0.20313 1.00000
  Ce2 Ce 0.79997 0.29997 0.59995 1.00000
  Ce3 Ce 0.20003 0.70003 0.40005 1.00000
  Ce4 Ce 0.00000 0.50000 0.00000 1.00000
  Ce5 Ce 0.39844 0.89844 0.79687 1.00000
  Sb1 Sb 0.40029 0.40029 0.80058 1.00000
  Sb2 Sb 0.79963 0.79963 0.59926 1.00000
  Sb3 Sb 0.20037 0.20037 0.40074 1.00000
  Sb4 Sb 0.59971 0.59971 0.19942 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
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