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Al4V8Ag

Alexandria ALEX

Alex-ID: agm097624686 · Space group: P1 (#1)

Basic Information

Formula
Al4V8Ag
Alex-ID
agm097624686
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
186.33
ų
Cell a
2.6356
Å
Cell b
8.9011
Å
Cell c
9.0193
Å
α angle
118.28
°
β angle
90.18
°
γ angle
90.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al4V8Ag
Al
4.00 · 30.8%
V
8.00 · 61.5%
Ag
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1055
eV/atom
Formation energy
-0.0695
eV/atom
Corrected total energy
-91.6860
eV
Raw total energy
-91.6860
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0444
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1733_spg38

Decomposition

AlV3 AlV Ag

Computed at

2025-06-02 08:14:11

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: agm097624686).

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 agm097624686
data_agm097624686
_cell_length_a     2.63564
_cell_length_b     8.90111
_cell_length_c     9.01932
_cell_angle_alpha  118.28125
_cell_angle_beta   90.18125
_cell_angle_gamma  90.18677
_cell_volume       186.33291
_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
  Al1 Al 0.00113 0.15322 0.15247 1.00000
  Al2 Al 0.03446 0.00973 0.61031 1.00000
  Al3 Al 0.04043 0.53263 0.99564 1.00000
  Al4 Al 0.01233 0.39896 0.47938 1.00000
  V1 V 0.49762 0.07654 0.37821 1.00000
  V2 V 0.55987 0.23285 0.92581 1.00000
  V3 V 0.78072 0.76782 0.30689 1.00000
  V4 V 0.57531 0.60941 0.76913 1.00000
  V5 V 0.47932 0.45815 0.22990 1.00000
  V6 V 0.46584 0.30914 0.69736 1.00000
  V7 V 0.48081 0.84623 0.08625 1.00000
  V8 V 0.52881 0.69115 0.52857 1.00000
  Ag1 Ag 0.04335 0.91416 0.84007 1.00000
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