Navigation

HEAS Data Platform · Materials Science Database

V6Ga2Ge

Alexandria ALEX

Alex-ID: agm005754196 · Space group: P-1 (#2)

Basic Information

Formula
V6Ga2Ge
Alex-ID
agm005754196
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
124.37
ų
Cell a
2.6246
Å
Cell b
11.3035
Å
Cell c
8.8658
Å
α angle
37.85
°
β angle
55.75
°
γ angle
51.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V6Ga2Ge
V
6.00 · 66.7%
Ga
2.00 · 22.2%
Ge
1.00 · 11.1%

Energy & Stability

Energy above hull
0.1201
eV/atom
Formation energy
-0.1451
eV/atom
Corrected total energy
-66.6933
eV
Raw total energy
-66.6933
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0130
eV
DOS at Fermi level
7.6192
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1797_spg2

Decomposition

V6Ga5 V2Ga V3Ge

Computed at

2023-07-09 21:05:58.455345

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: agm005754196).

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 agm005754196
data_agm005754196
_cell_length_a     2.62459
_cell_length_b     11.30346
_cell_length_c     8.86583
_cell_angle_alpha  37.84624
_cell_angle_beta   55.74662
_cell_angle_gamma  51.11425
_cell_volume       124.36783
_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
  V1 V 0.55749 0.49617 0.17677 1.00000
  V2 V 0.44250 0.50383 0.82323 1.00000
  V3 V 0.14194 0.84134 0.38601 1.00000
  V4 V 0.85968 0.15906 0.94450 1.00000
  V5 V 0.14032 0.84094 0.05550 1.00000
  V6 V 0.85805 0.15866 0.61399 1.00000
  Ga1 Ga 0.87740 0.18621 0.25497 1.00000
  Ga2 Ga 0.12259 0.81379 0.74503 1.00000
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
Get direct link