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VGe3

Alexandria ALEX

Alex-ID: agm002192068 · Space group: P2_1/m (#11)

Basic Information

Formula
VGe3
Alex-ID
agm002192068
Elements
2
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
131.88
ų
Cell a
4.7427
Å
Cell b
5.4173
Å
Cell c
5.2729
Å
α angle
103.23
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
VGe3
Ge
6.00 · 75.0%
V
2.00 · 25.0%

Energy & Stability

Energy above hull
0.2570
eV/atom
Formation energy
0.1039
eV/atom
Corrected total energy
-45.1101
eV
Raw total energy
-45.1101
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0244
eV
DOS at Fermi level
4.3390
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3_494_spg11

Decomposition

V11Ge8 Ge

Computed at

2018-06-01 13:03:50

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: agm002192068).

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 agm002192068
data_agm002192068
_cell_length_a     4.74270
_cell_length_b     5.41727
_cell_length_c     5.27295
_cell_angle_alpha  103.23293
_cell_angle_beta   90.00064
_cell_angle_gamma  89.99984
_cell_volume       131.87792
_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
  Ge1 Ge 0.75000 0.83557 0.22796 1.00000
  Ge2 Ge 0.75000 0.36155 0.32683 1.00000
  Ge3 Ge 0.75000 0.91594 0.73099 1.00000
  Ge4 Ge 0.25000 0.16443 0.77204 1.00000
  Ge5 Ge 0.25000 0.63845 0.67317 1.00000
  Ge6 Ge 0.25000 0.08406 0.26901 1.00000
  V1 V 0.25000 0.54256 0.14580 1.00000
  V2 V 0.75000 0.45744 0.85420 1.00000
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