Navigation

HEAS Data Platform · Materials Science Database

VGeN

Alexandria ALEX

Alex-ID: agm002107904 · Space group: Amm2 (#38)

Basic Information

Formula
VGeN
Alex-ID
agm002107904
Elements
3
Sites
12
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
160.52
ų
Cell a
3.3971
Å
Cell b
3.9938
Å
Cell c
11.8313
Å
α angle
90.00
°
β angle
90.04
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
VGeN
V
4.00 · 33.3%
Ge
4.00 · 33.3%
N
4.00 · 33.3%

Energy & Stability

Energy above hull
0.3812
eV/atom
Formation energy
-0.5216
eV/atom
Corrected total energy
-93.0130
eV
Raw total energy
-93.0130
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0213
eV
DOS at Fermi level
7.2886
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_2180_spg63

Decomposition

Ge VN

Computed at

2021-11-12 11:34:39.974475

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: agm002107904).

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 agm002107904
data_agm002107904
_cell_length_a     3.39706
_cell_length_b     3.99381
_cell_length_c     11.83129
_cell_angle_alpha  90.00000
_cell_angle_beta   90.03721
_cell_angle_gamma  90.00000
_cell_volume       160.51728
_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 0.46655 0.00000 0.53242 1.00000
  V2 V 0.46655 0.50000 0.03242 1.00000
  V3 V 0.96646 0.00000 0.95929 1.00000
  V4 V 0.96646 0.50000 0.45929 1.00000
  Ge1 Ge 0.96770 0.00000 0.73819 1.00000
  Ge2 Ge 0.96770 0.50000 0.23819 1.00000
  Ge3 Ge 0.46754 0.00000 0.21822 1.00000
  Ge4 Ge 0.46754 0.50000 0.71822 1.00000
  N1 N 0.96644 0.00000 0.44888 1.00000
  N2 N 0.96644 0.50000 0.94888 1.00000
  N3 N 0.46664 0.00000 0.04308 1.00000
  N4 N 0.46664 0.50000 0.54308 1.00000
Get direct link