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Ag2Te

Alexandria ALEX

Alex-ID: agm005471846 · Space group: Fd-3m (#227)

Basic Information

Formula
Ag2Te
Alex-ID
agm005471846
Elements
2
Sites
6
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
131.08
ų
Cell a
5.7018
Å
Cell b
5.7018
Å
Cell c
5.7018
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag2Te
Ag
4.00 · 66.7%
Te
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2271
eV/atom
Formation energy
0.1741
eV/atom
Corrected total energy
-16.6439
eV
Raw total energy
-16.6439
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7399
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1_spg227

Decomposition

Ag2Te

Computed at

2023-03-17 22:18:03.210476

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: agm005471846).

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 agm005471846
data_agm005471846
_cell_length_a     5.70180
_cell_length_b     5.70180
_cell_length_c     5.70180
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       131.07549
_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 0.62500 0.12500 0.12500 1.00000
  Ag2 Ag 0.12500 0.62500 0.12500 1.00000
  Ag3 Ag 0.12500 0.12500 0.62500 1.00000
  Ag4 Ag 0.12500 0.12500 0.12500 1.00000
  Te1 Te 0.50000 0.50000 0.50000 1.00000
  Te2 Te 0.75000 0.75000 0.75000 1.00000
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