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In4AgBi2

Alexandria ALEX

Alex-ID: agm096504183 · Space group: P2/m (#10)

Basic Information

Formula
In4AgBi2
Alex-ID
agm096504183
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
209.69
ų
Cell a
5.9933
Å
Cell b
4.5627
Å
Cell c
7.6690
Å
α angle
90.00
°
β angle
90.91
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In4AgBi2
In
4.00 · 57.1%
Ag
1.00 · 14.3%
Bi
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1012
eV/atom
Formation energy
0.0960
eV/atom
Corrected total energy
-21.0199
eV
Raw total energy
-21.0199
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6353
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_111_spg111

Decomposition

In2Ag5 In Bi

Computed at

2025-04-10 13:25:58

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: agm096504183).

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 agm096504183
data_agm096504183
_cell_length_a     5.99328
_cell_length_b     4.56269
_cell_length_c     7.66903
_cell_angle_alpha  90.00000
_cell_angle_beta   90.90630
_cell_angle_gamma  90.00000
_cell_volume       209.68695
_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
  In1 In 0.68805 0.50000 0.81686 1.00000
  In2 In 0.68447 0.00000 0.35746 1.00000
  In3 In 0.31553 0.00000 0.64254 1.00000
  In4 In 0.31195 0.50000 0.18314 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Bi1 Bi 0.00000 0.00000 0.00000 1.00000
  Bi2 Bi 0.00000 0.50000 0.50000 1.00000
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