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AgSb2

Alexandria ALEX

Alex-ID: agm005455451 · Space group: C2/m (#12)

Basic Information

Formula
AgSb2
Alex-ID
agm005455451
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
162.89
ų
Cell a
7.4621
Å
Cell b
7.4621
Å
Cell c
7.3659
Å
α angle
75.46
°
β angle
75.46
°
γ angle
24.26
°

Composition

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

Energy & Stability

Energy above hull
0.1554
eV/atom
Formation energy
0.1554
eV/atom
Corrected total energy
-21.2594
eV
Raw total energy
-21.2594
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0916
eV
DOS at Fermi level
2.1668
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_3092_spg12

Decomposition

Sb Ag

Computed at

2023-03-18 03:51:41.545139

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: agm005455451).

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 agm005455451
data_agm005455451
_cell_length_a     7.46215
_cell_length_b     7.46215
_cell_length_c     7.36591
_cell_angle_alpha  75.45846
_cell_angle_beta   75.45846
_cell_angle_gamma  24.26203
_cell_volume       162.88641
_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 0.96752 0.96752 0.82377 1.00000
  Ag2 Ag 0.03248 0.03248 0.17623 1.00000
  Sb1 Sb 0.60241 0.60241 0.54129 1.00000
  Sb2 Sb 0.32944 0.32944 0.09620 1.00000
  Sb3 Sb 0.67056 0.67056 0.90380 1.00000
  Sb4 Sb 0.39759 0.39759 0.45871 1.00000
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