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HEAS Data Platform · Materials Science Database

V5Si6W5

Alexandria ALEX

Alex-ID: agm005283798 · Space group: Cm (#8)

Basic Information

Formula
V5Si6W5
Alex-ID
agm005283798
Elements
3
Sites
16
Space group
Cm (#8)
Crystal system
monoclinic
Volume
223.31
ų
Cell a
7.1528
Å
Cell b
7.1528
Å
Cell c
9.4723
Å
α angle
48.62
°
β angle
48.62
°
γ angle
40.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5Si6W5
V
5.00 · 31.3%
Si
6.00 · 37.5%
W
5.00 · 31.3%

Energy & Stability

Energy above hull
0.0360
eV/atom
Formation energy
-0.3997
eV/atom
Corrected total energy
-149.2921
eV
Raw total energy
-149.2921
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7077
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B5C6_0_spg8

Decomposition

V5Si6W5

Computed at

2023-05-07 10:40:54.155898

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: agm005283798).

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 agm005283798
data_agm005283798
_cell_length_a     7.15277
_cell_length_b     7.15277
_cell_length_c     9.47233
_cell_angle_alpha  48.62298
_cell_angle_beta   48.62298
_cell_angle_gamma  40.48835
_cell_volume       223.30803
_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 0.72307 0.72307 0.70340 1.00000
  V2 V 0.27642 0.27642 0.29678 1.00000
  V3 V 0.77573 0.77573 0.14983 1.00000
  V4 V 0.22499 0.22499 0.84696 1.00000
  V5 V 0.57399 0.57399 0.15178 1.00000
  Si1 Si 0.25306 0.74901 0.00195 1.00000
  Si2 Si 0.74901 0.25306 0.00195 1.00000
  Si3 Si 0.17081 0.17081 0.16060 1.00000
  Si4 Si 0.82472 0.82472 0.84244 1.00000
  Si5 Si 0.33125 0.33125 0.49836 1.00000
  Si6 Si 0.67163 0.67163 0.49593 1.00000
  W1 W 0.42495 0.42495 0.85089 1.00000
  W2 W 0.07401 0.07401 0.70217 1.00000
  W3 W 0.92585 0.92585 0.29890 1.00000
  W4 W 0.75019 0.25029 0.49904 1.00000
  W5 W 0.25029 0.75019 0.49904 1.00000
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