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Eu8Sb5As

Alexandria ALEX

Alex-ID: agm078203045 · Space group: I-4 (#82)

Basic Information

Formula
Eu8Sb5As
Alex-ID
agm078203045
Elements
3
Sites
14
Space group
I-4 (#82)
Crystal system
tetragonal
Volume
445.93
ų
Cell a
8.3362
Å
Cell b
8.3362
Å
Cell c
8.3362
Å
α angle
109.63
°
β angle
109.63
°
γ angle
109.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu8Sb5As
Eu
8.00 · 57.1%
Sb
5.00 · 35.7%
As
1.00 · 7.1%

Energy & Stability

Energy above hull
0.0098
eV/atom
Formation energy
-1.0942
eV/atom
Corrected total energy
-122.7752
eV
Raw total energy
-122.7752
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
83.1675
Total magnetisation
54.0566
μB

Additional Information

Prototype ID

AB5C8_5_spg82

Decomposition

Eu4As3 Eu4Sb3

Computed at

2025-01-09 00:19:28

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: agm078203045).

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 agm078203045
data_agm078203045
_cell_length_a     8.33616
_cell_length_b     8.33616
_cell_length_c     8.33616
_cell_angle_alpha  109.62567
_cell_angle_beta   109.62567
_cell_angle_gamma  109.16277
_cell_volume       445.93067
_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 0.62145 0.86341 0.38159 1.00000
  Eu2 Eu 0.76014 0.37855 0.24195 1.00000
  Eu3 Eu 0.48181 0.23986 0.61841 1.00000
  Eu4 Eu 0.13659 0.51819 0.75805 1.00000
  Eu5 Eu 0.27253 0.37603 0.24774 1.00000
  Eu6 Eu 0.97521 0.72747 0.10350 1.00000
  Eu7 Eu 0.12829 0.02479 0.75226 1.00000
  Eu8 Eu 0.62397 0.87171 0.89650 1.00000
  Sb1 Sb 0.99985 0.12657 0.37355 1.00000
  Sb2 Sb 0.37370 0.00015 0.12672 1.00000
  Sb3 Sb 0.75302 0.62630 0.62645 1.00000
  Sb4 Sb 0.87343 0.24698 0.87328 1.00000
  Sb5 Sb 0.25000 0.75000 0.50000 1.00000
  As1 As 0.50000 0.50000 0.00000 1.00000
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