Navigation

HEAS Data Platform · Materials Science Database

Ag(Bi2Sb)4

Alexandria ALEX

Alex-ID: agm097805754 · Space group: Cm (#8)

Basic Information

Formula
Ag(Bi2Sb)4
Alex-ID
agm097805754
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
432.15
ų
Cell a
5.8191
Å
Cell b
9.3228
Å
Cell c
9.2313
Å
α angle
120.33
°
β angle
90.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag(Bi2Sb)4
Ag
1.00 · 7.7%
Bi
8.00 · 61.5%
Sb
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0962
eV/atom
Formation energy
0.0905
eV/atom
Corrected total energy
-49.2121
eV
Raw total energy
-49.2121
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.3192
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_426_spg2

Decomposition

Bi3Sb BiSb Ag

Computed at

2025-06-02 03:28:11

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: agm097805754).

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 agm097805754
data_agm097805754
_cell_length_a     5.81912
_cell_length_b     9.32279
_cell_length_c     9.23130
_cell_angle_alpha  120.33498
_cell_angle_beta   90.98224
_cell_angle_gamma  90.00104
_cell_volume       432.15016
_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
  Ag1 Ag 0.58613 0.01852 0.03765 1.00000
  Bi1 Bi 0.28635 0.17500 0.34919 1.00000
  Bi2 Bi 0.32591 0.16288 0.82390 1.00000
  Bi3 Bi 0.29506 0.66612 0.33290 1.00000
  Bi4 Bi 0.32597 0.66081 0.82340 1.00000
  Bi5 Bi 0.66360 0.37624 0.17565 1.00000
  Bi6 Bi 0.68850 0.32589 0.65227 1.00000
  Bi7 Bi 0.66348 0.79950 0.17621 1.00000
  Bi8 Bi 0.65042 0.82740 0.65418 1.00000
  Sb1 Sb 0.06011 0.99141 0.98298 1.00000
  Sb2 Sb 0.98403 0.00647 0.50009 1.00000
  Sb3 Sb 0.98735 0.49573 0.99098 1.00000
  Sb4 Sb 0.98308 0.49402 0.50060 1.00000
Get direct link