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Eu8Bi5Sb

Alexandria ALEX

Alex-ID: agm079160025 · Space group: I-4 (#82)

Basic Information

Formula
Eu8Bi5Sb
Alex-ID
agm079160025
Elements
3
Sites
14
Space group
I-4 (#82)
Crystal system
tetragonal
Volume
482.70
ų
Cell a
8.5592
Å
Cell b
8.5592
Å
Cell c
8.5592
Å
α angle
109.49
°
β angle
109.49
°
γ angle
109.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu8Bi5Sb
Eu
8.00 · 57.1%
Bi
5.00 · 35.7%
Sb
1.00 · 7.1%

Energy & Stability

Energy above hull
0.0011
eV/atom
Formation energy
-0.9312
eV/atom
Corrected total energy
-118.7595
eV
Raw total energy
-118.7595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
87.5305
Total magnetisation
54.2131
μB

Additional Information

Prototype ID

AB5C8_5_spg82

Decomposition

Eu4Sb3 Eu4Bi3

Computed at

2025-01-10 03:50:38

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: agm079160025).

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 agm079160025
data_agm079160025
_cell_length_a     8.55922
_cell_length_b     8.55922
_cell_length_c     8.55922
_cell_angle_alpha  109.48660
_cell_angle_beta   109.48660
_cell_angle_gamma  109.44046
_cell_volume       482.70306
_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
  Eu1 Eu 0.02386 0.27194 0.89554 1.00000
  Eu2 Eu 0.72806 0.62360 0.75191 1.00000
  Eu3 Eu 0.37640 0.12832 0.10446 1.00000
  Eu4 Eu 0.87168 0.97614 0.24809 1.00000
  Eu5 Eu 0.37545 0.12832 0.60917 1.00000
  Eu6 Eu 0.87168 0.48085 0.24712 1.00000
  Eu7 Eu 0.51915 0.76627 0.39083 1.00000
  Eu8 Eu 0.23373 0.62455 0.75288 1.00000
  Bi1 Bi 0.99930 0.87364 0.62557 1.00000
  Bi2 Bi 0.12636 0.75193 0.12566 1.00000
  Bi3 Bi 0.24807 0.37373 0.37443 1.00000
  Bi4 Bi 0.62627 0.00070 0.87434 1.00000
  Bi5 Bi 0.75000 0.25000 0.50000 1.00000
  Sb1 Sb 0.50000 0.50000 0.00000 1.00000
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