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V8W3

Alexandria ALEX

Alex-ID: agm012416764 · Space group: C2/m (#12)

Basic Information

Formula
V8W3
Alex-ID
agm012416764
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.26
ų
Cell a
6.6119
Å
Cell b
6.6119
Å
Cell c
6.6112
Å
α angle
62.59
°
β angle
117.41
°
γ angle
141.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V8W3
V
8.00 · 72.7%
W
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0096
eV/atom
Formation energy
-0.0450
eV/atom
Corrected total energy
-112.3038
eV
Raw total energy
-112.3038
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0126
eV
DOS at Fermi level
15.5359
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_114_spg12

Decomposition

V5W V3W2

Computed at

2025-02-26 05:34:42

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: agm012416764).

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 agm012416764
data_agm012416764
_cell_length_a     6.61190
_cell_length_b     6.61190
_cell_length_c     6.61121
_cell_angle_alpha  62.58845
_cell_angle_beta   117.41155
_cell_angle_gamma  141.74782
_cell_volume       156.25999
_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 0.58933 0.41067 0.45484 1.00000
  V2 V 0.31831 0.68169 0.09019 1.00000
  V3 V 0.13572 0.86428 0.18039 1.00000
  V4 V 0.04643 0.95357 0.72661 1.00000
  V5 V 0.86428 0.13572 0.81961 1.00000
  V6 V 0.68169 0.31831 0.90981 1.00000
  V7 V 0.41067 0.58933 0.54516 1.00000
  V8 V 0.95357 0.04643 0.27339 1.00000
  W1 W 0.22503 0.77497 0.63715 1.00000
  W2 W 0.77497 0.22503 0.36285 1.00000
  W3 W 0.50000 0.50000 0.00000 1.00000
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