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V7Re5

Alexandria ALEX

Alex-ID: agm067368397 · Space group: Immm (#71)

Basic Information

Formula
V7Re5
Alex-ID
agm067368397
Elements
2
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
166.92
ų
Cell a
7.4190
Å
Cell b
7.4190
Å
Cell c
7.4190
Å
α angle
146.40
°
β angle
131.80
°
γ angle
60.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V7Re5
V
7.00 · 58.3%
Re
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0104
eV/atom
Formation energy
-0.3505
eV/atom
Corrected total energy
-130.2763
eV
Raw total energy
-130.2763
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0061
eV
DOS at Fermi level
6.2917
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_662_spg71

Decomposition

V7Re5

Computed at

2024-10-15 18:54:12.867654

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: agm067368397).

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 agm067368397
data_agm067368397
_cell_length_a     7.41898
_cell_length_b     7.41898
_cell_length_c     7.41898
_cell_angle_alpha  146.39938
_cell_angle_beta   131.79841
_cell_angle_gamma  60.03791
_cell_volume       166.92420
_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 0.00000 0.50000 0.50000 1.00000
  V2 V 0.41470 0.66593 0.74877 1.00000
  V3 V 0.91716 0.66593 0.25123 1.00000
  V4 V 0.24808 0.00000 0.24808 1.00000
  V5 V 0.75192 0.00000 0.75192 1.00000
  V6 V 0.08284 0.33407 0.74877 1.00000
  V7 V 0.58530 0.33407 0.25123 1.00000
  Re1 Re 0.83374 0.83374 0.00000 1.00000
  Re2 Re 0.66649 0.16649 0.50000 1.00000
  Re3 Re 0.50000 0.50000 0.00000 1.00000
  Re4 Re 0.33351 0.83351 0.50000 1.00000
  Re5 Re 0.16626 0.16626 0.00000 1.00000
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