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Ag3Sb2

Alexandria ALEX

Alex-ID: agm005508150 · Space group: Fdd2 (#43)

Basic Information

Formula
Ag3Sb2
Alex-ID
agm005508150
Elements
2
Sites
10
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
221.08
ų
Cell a
14.7782
Å
Cell b
13.8039
Å
Cell c
5.6718
Å
α angle
88.42
°
β angle
69.02
°
γ angle
22.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag3Sb2
Ag
6.00 · 60.0%
Sb
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1379
eV/atom
Formation energy
0.1379
eV/atom
Corrected total energy
-32.2178
eV
Raw total energy
-32.2178
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0154
eV
DOS at Fermi level
3.6025
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_127_spg43

Decomposition

Sb Ag

Computed at

2023-03-19 16:44:44.525715

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: agm005508150).

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 agm005508150
data_agm005508150
_cell_length_a     14.77821
_cell_length_b     13.80395
_cell_length_c     5.67182
_cell_angle_alpha  88.41803
_cell_angle_beta   69.02202
_cell_angle_gamma  22.55995
_cell_volume       221.07983
_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 0.48580 0.69959 0.50891 1.00000
  Ag2 Ag 0.30570 0.50891 0.69959 1.00000
  Ag3 Ag 0.55041 0.76420 0.94430 1.00000
  Ag4 Ag 0.74109 0.94430 0.76420 1.00000
  Ag5 Ag 0.89281 0.10719 0.10719 1.00000
  Ag6 Ag 0.14281 0.35719 0.35719 1.00000
  Sb1 Sb 0.96482 0.15563 0.52868 1.00000
  Sb2 Sb 0.35087 0.52868 0.15563 1.00000
  Sb3 Sb 0.09437 0.28518 0.89913 1.00000
  Sb4 Sb 0.72132 0.89913 0.28518 1.00000
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