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Ag(Bi2Sb)2

Alexandria ALEX

Alex-ID: agm095964285 · Space group: P2/m (#10)

Basic Information

Formula
Ag(Bi2Sb)2
Alex-ID
agm095964285
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
223.80
ų
Cell a
5.9266
Å
Cell b
4.6487
Å
Cell c
8.1324
Å
α angle
90.00
°
β angle
92.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag(Bi2Sb)2
Ag
1.00 · 14.3%
Bi
4.00 · 57.1%
Sb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1096
eV/atom
Formation energy
0.1043
eV/atom
Corrected total energy
-25.8896
eV
Raw total energy
-25.8896
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.0570
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_111_spg111

Decomposition

Bi3Sb BiSb Ag

Computed at

2025-04-10 13:24:13

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: agm095964285).

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 agm095964285
data_agm095964285
_cell_length_a     5.92658
_cell_length_b     4.64871
_cell_length_c     8.13240
_cell_angle_alpha  90.00000
_cell_angle_beta   92.74390
_cell_angle_gamma  90.00000
_cell_volume       223.79822
_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 0.50000 0.00000 0.50000 1.00000
  Bi1 Bi 0.69731 0.50000 0.30832 1.00000
  Bi2 Bi 0.67896 0.00000 0.85222 1.00000
  Bi3 Bi 0.32104 0.00000 0.14778 1.00000
  Bi4 Bi 0.30269 0.50000 0.69168 1.00000
  Sb1 Sb 0.00000 0.00000 0.50000 1.00000
  Sb2 Sb 0.00000 0.50000 0.00000 1.00000
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