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V5ReGe5

Alexandria ALEX

Alex-ID: agm003672532 · Space group: C2/m (#12)

Basic Information

Formula
V5ReGe5
Alex-ID
agm003672532
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
172.46
ų
Cell a
4.7646
Å
Cell b
6.2806
Å
Cell c
6.5165
Å
α angle
105.78
°
β angle
90.00
°
γ angle
112.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5ReGe5
V
5.00 · 45.5%
Re
1.00 · 9.1%
Ge
5.00 · 45.5%

Energy & Stability

Energy above hull
0.5037
eV/atom
Formation energy
0.2169
eV/atom
Corrected total energy
-78.7425
eV
Raw total energy
-78.7425
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0325
eV
DOS at Fermi level
8.2491
Total magnetisation
0.0075
μB

Additional Information

Prototype ID

AB5C5_31_spg12

Decomposition

V11Ge8 VRe Ge

Computed at

2022-04-09 19:05:36.714105

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: agm003672532).

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 agm003672532
data_agm003672532
_cell_length_a     4.76459
_cell_length_b     6.28058
_cell_length_c     6.51652
_cell_angle_alpha  105.77987
_cell_angle_beta   90.00000
_cell_angle_gamma  112.29102
_cell_volume       172.46147
_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 0.63680 0.27361 0.37112 1.00000
  V2 V 0.59844 0.19689 0.71122 1.00000
  V3 V 0.00000 0.00000 0.50000 1.00000
  V4 V 0.40156 0.80311 0.28878 1.00000
  V5 V 0.36320 0.72639 0.62888 1.00000
  Re1 Re 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.80325 0.60651 0.11625 1.00000
  Ge2 Ge 0.81650 0.63299 0.68922 1.00000
  Ge3 Ge 0.50000 0.00000 0.00000 1.00000
  Ge4 Ge 0.18350 0.36701 0.31078 1.00000
  Ge5 Ge 0.19675 0.39349 0.88375 1.00000
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