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HEAS Data Platform · Materials Science Database

V5W7

Alexandria ALEX

Alex-ID: agm003293276 · Space group: C2/m (#12)

Basic Information

Formula
V5W7
Alex-ID
agm003293276
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
179.95
ų
Cell a
3.1154
Å
Cell b
6.7426
Å
Cell c
15.7724
Å
α angle
143.83
°
β angle
90.00
°
γ angle
103.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5W7
V
5.00 · 41.7%
W
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0107
eV/atom
Formation energy
-0.0851
eV/atom
Corrected total energy
-137.2859
eV
Raw total energy
-137.2859
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.0693
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_112_spg12

Decomposition

V2W3 VW

Computed at

2022-01-17 05:52:22.402260

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: agm003293276).

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 agm003293276
data_agm003293276
_cell_length_a     3.11542
_cell_length_b     6.74256
_cell_length_c     15.77239
_cell_angle_alpha  143.82589
_cell_angle_beta   90.00000
_cell_angle_gamma  103.35751
_cell_volume       179.95267
_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 0.16731 0.33463 0.49871 1.00000
  V2 V 0.83269 0.66537 0.50129 1.00000
  V3 V 0.41975 0.83949 0.25298 1.00000
  V4 V 0.58025 0.16051 0.74702 1.00000
  V5 V 0.00000 0.00000 0.00000 1.00000
  W1 W 0.24879 0.49758 0.75062 1.00000
  W2 W 0.75121 0.50242 0.24938 1.00000
  W3 W 0.08500 0.16999 0.25365 1.00000
  W4 W 0.91500 0.83001 0.74635 1.00000
  W5 W 0.66693 0.33387 0.00137 1.00000
  W6 W 0.50000 0.00000 0.50000 1.00000
  W7 W 0.33307 0.66613 0.99863 1.00000
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