Navigation

HEAS Data Platform · Materials Science Database

Sr4Ag3Bi4

Alexandria ALEX

Alex-ID: agm009779961 · Space group: C2/m (#12)

Basic Information

Formula
Sr4Ag3Bi4
Alex-ID
agm009779961
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
365.34
ų
Cell a
16.8672
Å
Cell b
16.8672
Å
Cell c
4.7256
Å
α angle
77.64
°
β angle
77.64
°
γ angle
16.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Ag3Bi4
Sr
4.00 · 36.4%
Ag
3.00 · 27.3%
Bi
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1240
eV/atom
Formation energy
-0.5211
eV/atom
Corrected total energy
-36.5677
eV
Raw total energy
-36.5677
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6590
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_202_spg2

Decomposition

Sr2Bi3 Sr11Bi10 SrAgBi

Computed at

2024-05-05 19:14:54.969186

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: agm009779961).

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 agm009779961
data_agm009779961
_cell_length_a     16.86716
_cell_length_b     16.86716
_cell_length_c     4.72560
_cell_angle_alpha  77.64152
_cell_angle_beta   77.64152
_cell_angle_gamma  16.15997
_cell_volume       365.33649
_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
  Sr1 Sr 0.90696 0.90696 0.96943 1.00000
  Sr2 Sr 0.70679 0.70679 0.81827 1.00000
  Sr3 Sr 0.29321 0.29321 0.18173 1.00000
  Sr4 Sr 0.09304 0.09304 0.03057 1.00000
  Ag1 Ag 0.36943 0.36943 0.54980 1.00000
  Ag2 Ag 0.63057 0.63057 0.45020 1.00000
  Ag3 Ag 0.00000 0.00000 0.50000 1.00000
  Bi1 Bi 0.45556 0.45556 0.34703 1.00000
  Bi2 Bi 0.54444 0.54444 0.65297 1.00000
  Bi3 Bi 0.18459 0.18459 0.35058 1.00000
  Bi4 Bi 0.81541 0.81541 0.64942 1.00000
Get direct link