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V6GaGe2

Alexandria ALEX

Alex-ID: agm005754183 · Space group: P-1 (#2)

Basic Information

Formula
V6GaGe2
Alex-ID
agm005754183
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
125.31
ų
Cell a
2.6638
Å
Cell b
7.7923
Å
Cell c
9.7651
Å
α angle
44.09
°
β angle
117.20
°
γ angle
110.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V6GaGe2
V
6.00 · 66.7%
Ga
1.00 · 11.1%
Ge
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1643
eV/atom
Formation energy
-0.1572
eV/atom
Corrected total energy
-68.3908
eV
Raw total energy
-68.3908
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.9224
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1775_spg2

Decomposition

V2Ga5 V5Ge3 V3Ge

Computed at

2023-07-10 12:40:11.427826

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: agm005754183).

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 agm005754183
data_agm005754183
_cell_length_a     2.66380
_cell_length_b     7.79231
_cell_length_c     9.76509
_cell_angle_alpha  44.08589
_cell_angle_beta   117.20199
_cell_angle_gamma  110.77834
_cell_volume       125.31133
_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 0.32915 0.60955 0.14800 1.00000
  V2 V 0.67085 0.39045 0.85200 1.00000
  V3 V 0.24220 0.81869 0.50975 1.00000
  V4 V 0.96925 0.06906 0.83843 1.00000
  V5 V 0.03075 0.93094 0.16157 1.00000
  V6 V 0.75780 0.18131 0.49025 1.00000
  Ga1 Ga 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.71563 0.23045 0.19908 1.00000
  Ge2 Ge 0.28437 0.76955 0.80092 1.00000
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