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V7Mo

Alexandria ALEX

Alex-ID: agm005547752 · Space group: R-3m (#166)

Basic Information

Formula
V7Mo
Alex-ID
agm005547752
Elements
2
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
220.24
ų
Cell a
6.0393
Å
Cell b
6.0393
Å
Cell c
6.0393
Å
α angle
90.54
°
β angle
90.54
°
γ angle
89.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V7Mo
V
14.00 · 87.5%
Mo
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0116
eV/atom
Formation energy
-0.0330
eV/atom
Corrected total energy
-149.8507
eV
Raw total energy
-149.8507
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
31.1531
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB7_17_spg166

Decomposition

V5Mo V

Computed at

2023-05-29 10:40:56.638403

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: agm005547752).

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 agm005547752
data_agm005547752
_cell_length_a     6.03930
_cell_length_b     6.03930
_cell_length_c     6.03930
_cell_angle_alpha  90.54004
_cell_angle_beta   90.54005
_cell_angle_gamma  89.45994
_cell_volume       220.24309
_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 0.62274 0.62274 0.37726 1.00000
  V2 V 0.62406 0.12502 0.37594 1.00000
  V3 V 0.12502 0.62406 0.37594 1.00000
  V4 V 0.12599 0.12599 0.37465 1.00000
  V5 V 0.87401 0.37465 0.12599 1.00000
  V6 V 0.37465 0.87401 0.12599 1.00000
  V7 V 0.37594 0.37594 0.12502 1.00000
  V8 V 0.62406 0.62406 0.87498 1.00000
  V9 V 0.62535 0.12599 0.87401 1.00000
  V10 V 0.12599 0.62535 0.87401 1.00000
  V11 V 0.87401 0.87401 0.62535 1.00000
  V12 V 0.87498 0.37594 0.62406 1.00000
  V13 V 0.37594 0.87498 0.62406 1.00000
  V14 V 0.37726 0.37726 0.62274 1.00000
  Mo1 Mo 0.87262 0.87262 0.12738 1.00000
  Mo2 Mo 0.12738 0.12738 0.87262 1.00000
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