V
Alexandria ALEXAlex-ID: agm003154658 · Space group: Pm-3n (#223)
Basic Information
Formula
V
Alex-ID
agm003154658
Elements
1
Sites
46
Space group
Pm-3n (#223)
Crystal system
cubic
Volume
1,025.65
ų
Cell a
10.0848
Å
Cell b
10.0848
Å
Cell c
10.0848
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
V
V
46.00 · 100.0%
Energy & Stability
Energy above hull
2.0303
eV/atom
Formation energy
2.0303
eV/atom
Corrected total energy
-326.0618
eV
Raw total energy
-326.0618
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
95.1116
Total magnetisation
-0.0010
μB
Additional Information
Prototype ID
A_468_spg223
Decomposition
V
Computed at
2022-05-05 13:27:09.119573
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: agm003154658).
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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003154658
data_agm003154658
_cell_length_a 10.08477
_cell_length_b 10.08477
_cell_length_c 10.08477
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1025.64582
_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 0.25000 0.00000 0.50000 1.00000
V2 V 0.75000 0.00000 0.50000 1.00000
V3 V 0.00000 0.50000 0.25000 1.00000
V4 V 0.00000 0.50000 0.75000 1.00000
V5 V 0.50000 0.25000 0.00000 1.00000
V6 V 0.50000 0.75000 0.00000 1.00000
V7 V 0.61868 0.61868 0.61868 1.00000
V8 V 0.61868 0.38132 0.38132 1.00000
V9 V 0.38132 0.61868 0.38132 1.00000
V10 V 0.38132 0.38132 0.61868 1.00000
V11 V 0.88132 0.88132 0.88132 1.00000
V12 V 0.88132 0.11868 0.11868 1.00000
V13 V 0.11868 0.88132 0.11868 1.00000
V14 V 0.11868 0.11868 0.88132 1.00000
V15 V 0.38132 0.38132 0.38132 1.00000
V16 V 0.38132 0.61868 0.61868 1.00000
V17 V 0.61868 0.38132 0.61868 1.00000
V18 V 0.61868 0.61868 0.38132 1.00000
V19 V 0.11868 0.11868 0.11868 1.00000
V20 V 0.11868 0.88132 0.88132 1.00000
V21 V 0.88132 0.11868 0.88132 1.00000
V22 V 0.88132 0.88132 0.11868 1.00000
V23 V 0.00000 0.35256 0.10051 1.00000
V24 V 0.00000 0.64744 0.89949 1.00000
V25 V 0.00000 0.35256 0.89949 1.00000
V26 V 0.00000 0.64744 0.10051 1.00000
V27 V 0.35256 0.10051 0.00000 1.00000
V28 V 0.35256 0.89949 0.00000 1.00000
V29 V 0.64744 0.10051 0.00000 1.00000
V30 V 0.64744 0.89949 0.00000 1.00000
V31 V 0.10051 0.00000 0.35256 1.00000
V32 V 0.10051 0.00000 0.64744 1.00000
V33 V 0.89949 0.00000 0.64744 1.00000
V34 V 0.89949 0.00000 0.35256 1.00000
V35 V 0.14744 0.50000 0.39949 1.00000
V36 V 0.14744 0.50000 0.60051 1.00000
V37 V 0.85256 0.50000 0.60051 1.00000
V38 V 0.85256 0.50000 0.39949 1.00000
V39 V 0.50000 0.39949 0.14744 1.00000
V40 V 0.50000 0.60051 0.85256 1.00000
V41 V 0.50000 0.39949 0.85256 1.00000
V42 V 0.50000 0.60051 0.14744 1.00000
V43 V 0.39949 0.14744 0.50000 1.00000
V44 V 0.39949 0.85256 0.50000 1.00000
V45 V 0.60051 0.14744 0.50000 1.00000
V46 V 0.60051 0.85256 0.50000 1.00000
