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V7(MoOs)2

Alexandria ALEX

Alex-ID: agm005572166 · Space group: P-1 (#2)

Basic Information

Formula
V7(MoOs)2
Alex-ID
agm005572166
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
158.63
ų
Cell a
4.9293
Å
Cell b
8.9393
Å
Cell c
7.2864
Å
α angle
39.54
°
β angle
66.81
°
γ angle
51.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V7(MoOs)2
V
7.00 · 63.6%
Mo
2.00 · 18.2%
Os
2.00 · 18.2%

Energy & Stability

Energy above hull
0.4428
eV/atom
Formation energy
0.1427
eV/atom
Corrected total energy
-106.3827
eV
Raw total energy
-106.3827
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7045
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_872_spg12

Decomposition

V2Mo3 V3MoOs V4Os

Computed at

2023-06-05 05:10:28.895700

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: agm005572166).

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 agm005572166
data_agm005572166
_cell_length_a     4.92929
_cell_length_b     8.93927
_cell_length_c     7.28643
_cell_angle_alpha  39.53929
_cell_angle_beta   66.81373
_cell_angle_gamma  51.88543
_cell_volume       158.62958
_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 0.79265 0.97656 0.46252 1.00000
  V2 V 0.16912 0.60766 0.45333 1.00000
  V3 V 0.20735 0.02344 0.53748 1.00000
  V4 V 0.83088 0.39234 0.54667 1.00000
  V5 V 0.65775 0.60132 0.08421 1.00000
  V6 V 0.00000 0.00000 0.00000 1.00000
  V7 V 0.34225 0.39868 0.91579 1.00000
  Mo1 Mo 0.83949 0.41222 0.89897 1.00000
  Mo2 Mo 0.16051 0.58778 0.10103 1.00000
  Os1 Os 0.53025 0.12071 0.70701 1.00000
  Os2 Os 0.46975 0.87929 0.29299 1.00000
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