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AgSb2

Alexandria ALEX

Alex-ID: agm005459539 · Space group: I4_1/amd (#141)

Basic Information

Formula
AgSb2
Alex-ID
agm005459539
Elements
2
Sites
6
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
152.42
ų
Cell a
15.6286
Å
Cell b
15.6286
Å
Cell c
15.6286
Å
α angle
168.47
°
β angle
168.47
°
γ angle
16.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgSb2
Ag
2.00 · 33.3%
Sb
4.00 · 66.7%

Energy & Stability

Energy above hull
0.1617
eV/atom
Formation energy
0.1617
eV/atom
Corrected total energy
-21.2216
eV
Raw total energy
-21.2216
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
3.1995
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_62_spg141

Decomposition

Sb Ag

Computed at

2023-03-22 14:49:54.533043

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: agm005459539).

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 agm005459539
data_agm005459539
_cell_length_a     15.62864
_cell_length_b     15.62864
_cell_length_c     15.62864
_cell_angle_alpha  168.47328
_cell_angle_beta   168.47328
_cell_angle_gamma  16.32898
_cell_volume       152.41963
_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 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.75000 0.25000 0.50000 1.00000
  Sb1 Sb 0.57328 0.57328 0.00000 1.00000
  Sb2 Sb 0.17672 0.67672 0.50000 1.00000
  Sb3 Sb 0.42672 0.42672 0.00000 1.00000
  Sb4 Sb 0.32328 0.82328 0.50000 1.00000
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