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V3Os2Rh

Alexandria ALEX

Alex-ID: agm005725876 · Space group: P2/m (#10)

Basic Information

Formula
V3Os2Rh
Alex-ID
agm005725876
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
166.46
ų
Cell a
4.4229
Å
Cell b
6.6298
Å
Cell c
5.8009
Å
α angle
90.00
°
β angle
90.00
°
γ angle
78.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V3Os2Rh
V
6.00 · 50.0%
Os
4.00 · 33.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0814
eV/atom
Formation energy
-0.2499
eV/atom
Corrected total energy
-117.3319
eV
Raw total energy
-117.3319
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0034
eV
DOS at Fermi level
14.4773
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1558_spg10

Decomposition

V5Os3 VOs5 VRh3

Computed at

2023-08-30 01:17:30.680349

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: agm005725876).

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 agm005725876
data_agm005725876
_cell_length_a     4.42291
_cell_length_b     6.62984
_cell_length_c     5.80088
_cell_angle_alpha  89.99981
_cell_angle_beta   89.99982
_cell_angle_gamma  78.12639
_cell_volume       166.46085
_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 0.79066 0.31508 0.74645 1.00000
  V2 V 0.50000 0.00000 0.24831 1.00000
  V3 V 0.20934 0.68492 0.25355 1.00000
  V4 V 0.79066 0.31508 0.25356 1.00000
  V5 V 0.20934 0.68492 0.74644 1.00000
  V6 V 0.50000 1.00000 0.75169 1.00000
  Os1 Os 0.00000 0.00000 0.00000 1.00000
  Os2 Os 0.00000 0.00000 0.50000 1.00000
  Os3 Os 0.28948 0.34784 0.50000 1.00000
  Os4 Os 0.71052 0.65216 0.50000 1.00000
  Rh1 Rh 0.27718 0.35410 0.00000 1.00000
  Rh2 Rh 0.72282 0.64590 1.00000 1.00000
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