Navigation

HEAS Data Platform · Materials Science Database

Ag2GeBi4

Alexandria ALEX

Alex-ID: agm096727862 · Space group: P2 (#3)

Basic Information

Formula
Ag2GeBi4
Alex-ID
agm096727862
Elements
3
Sites
7
Space group
P2 (#3)
Crystal system
monoclinic
Volume
203.40
ų
Cell a
4.7807
Å
Cell b
5.0473
Å
Cell c
8.4344
Å
α angle
91.93
°
β angle
89.97
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag2GeBi4
Ag
2.00 · 28.6%
Ge
1.00 · 14.3%
Bi
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1658
eV/atom
Formation energy
0.1658
eV/atom
Corrected total energy
-24.6828
eV
Raw total energy
-24.6828
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0426
eV
DOS at Fermi level
2.5744
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6183_spg47

Decomposition

Ag Ge Bi

Computed at

2025-04-10 18:55:09

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: agm096727862).

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 agm096727862
data_agm096727862
_cell_length_a     4.78074
_cell_length_b     5.04732
_cell_length_c     8.43436
_cell_angle_alpha  91.93259
_cell_angle_beta   89.96624
_cell_angle_gamma  90.01105
_cell_volume       203.40460
_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 0.91303 0.99949 0.99992 1.00000
  Ag2 Ag 0.46153 0.00046 0.50002 1.00000
  Ge1 Ge 0.12184 0.49971 0.00017 1.00000
  Bi1 Bi 0.53629 0.30985 0.22424 1.00000
  Bi2 Bi 0.96554 0.23171 0.68194 1.00000
  Bi3 Bi 0.96588 0.76843 0.31809 1.00000
  Bi4 Bi 0.53590 0.69034 0.77561 1.00000
Get direct link