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V7Mo3

Alexandria ALEX

Alex-ID: agm075813639 · Space group: C2/m (#12)

Basic Information

Formula
V7Mo3
Alex-ID
agm075813639
Elements
2
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
141.23
ų
Cell a
6.8230
Å
Cell b
6.8230
Å
Cell c
5.2255
Å
α angle
74.81
°
β angle
105.19
°
γ angle
142.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V7Mo3
V
7.00 · 70.0%
Mo
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0057
eV/atom
Formation energy
-0.0894
eV/atom
Corrected total energy
-97.2175
eV
Raw total energy
-97.2175
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.4752
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B7_53_spg8

Decomposition

V5Mo V3Mo2

Computed at

2025-01-10 09:29:18

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: agm075813639).

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 agm075813639
data_agm075813639
_cell_length_a     6.82304
_cell_length_b     6.82304
_cell_length_c     5.22551
_cell_angle_alpha  74.80808
_cell_angle_beta   105.19192
_cell_angle_gamma  142.83527
_cell_volume       141.23203
_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 0.39929 0.60071 0.09927 1.00000
  V2 V 0.60071 0.39929 0.90073 1.00000
  V3 V 0.79776 0.20224 0.19105 1.00000
  V4 V 0.20224 0.79776 0.80895 1.00000
  V5 V 0.79980 0.20020 0.70104 1.00000
  V6 V 0.20020 0.79980 0.29896 1.00000
  V7 V 0.00000 0.00000 0.50000 1.00000
  Mo1 Mo 0.39661 0.60339 0.59404 1.00000
  Mo2 Mo 0.60339 0.39661 0.40596 1.00000
  Mo3 Mo 0.00000 0.00000 0.00000 1.00000
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