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Al2V9Ge

Alexandria ALEX

Alex-ID: agm047674327 · Space group: Pmmm (#47)

Alexandria Database API

Basic Information

Formula
Al2V9Ge
Alex-ID
agm047674327
Elements
3
Sites
24
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
329.34
ų
Cell a
4.7534
Å
Cell b
4.7473
Å
Cell c
14.5945
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2V9Ge
Al
4.00 · 16.7%
V
18.00 · 75.0%
Ge
2.00 · 8.3%

Energy & Stability

Energy above hull
0.0120
eV/atom
Formation energy
-0.2021
eV/atom
Corrected total energy
-193.2016
eV
Raw total energy
-193.2016
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
43.4644
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_21_spg47

Decomposition

V13Ge3 AlV3 AlV

Computed at

2024-12-30 21:53:31

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: agm047674327).

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 agm047674327
data_agm047674327
_cell_length_a     4.75335
_cell_length_b     4.74734
_cell_length_c     14.59449
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       329.33622
_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 0.50000 0.00000 0.66772 1.00000
  Al2 Al 0.50000 0.00000 0.00000 1.00000
  Al3 Al 0.50000 0.00000 0.33228 1.00000
  Al4 Al 0.00000 0.50000 0.50000 1.00000
  V1 V 0.50000 0.50000 0.75136 1.00000
  V2 V 0.50000 0.50000 0.08305 1.00000
  V3 V 0.50000 0.50000 0.41631 1.00000
  V4 V 0.73821 0.00000 0.50000 1.00000
  V5 V 0.74325 0.00000 0.83428 1.00000
  V6 V 0.74325 0.00000 0.16572 1.00000
  V7 V 0.00000 0.26033 0.66834 1.00000
  V8 V 0.00000 0.25678 0.00000 1.00000
  V9 V 0.00000 0.26033 0.33166 1.00000
  V10 V 0.50000 0.50000 0.58369 1.00000
  V11 V 0.50000 0.50000 0.91695 1.00000
  V12 V 0.50000 0.50000 0.24864 1.00000
  V13 V 0.26179 0.00000 0.50000 1.00000
  V14 V 0.25675 0.00000 0.83428 1.00000
  V15 V 0.25675 0.00000 0.16572 1.00000
  V16 V 0.00000 0.73967 0.66834 1.00000
  V17 V 0.00000 0.74322 0.00000 1.00000
  V18 V 0.00000 0.73967 0.33166 1.00000
  Ge1 Ge 0.00000 0.50000 0.83425 1.00000
  Ge2 Ge 0.00000 0.50000 0.16575 1.00000
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