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AgSb

Alexandria ALEX

Alex-ID: agm005478279 · Space group: Cm (#8)

Basic Information

Formula
AgSb
Alex-ID
agm005478279
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
145.46
ų
Cell a
7.0876
Å
Cell b
7.0876
Å
Cell c
7.2882
Å
α angle
64.52
°
β angle
64.52
°
γ angle
26.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgSb
Ag
3.00 · 50.0%
Sb
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1205
eV/atom
Formation energy
0.1205
eV/atom
Corrected total energy
-20.1977
eV
Raw total energy
-20.1977
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0262
eV
DOS at Fermi level
2.4085
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_233_spg8

Decomposition

Sb Ag

Computed at

2023-03-18 03:50:33.612915

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: agm005478279).

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 agm005478279
data_agm005478279
_cell_length_a     7.08760
_cell_length_b     7.08760
_cell_length_c     7.28822
_cell_angle_alpha  64.51783
_cell_angle_beta   64.51783
_cell_angle_gamma  26.28761
_cell_volume       145.46206
_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 0.03452 0.03452 0.98421 1.00000
  Ag2 Ag 0.67375 0.67375 0.61456 1.00000
  Ag3 Ag 0.56283 0.56283 0.29398 1.00000
  Sb1 Sb 0.34137 0.34137 0.29081 1.00000
  Sb2 Sb 0.97642 0.97642 0.65790 1.00000
  Sb3 Sb 0.24444 0.24444 0.99188 1.00000
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