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V3OsPt2

Alexandria ALEX

Alex-ID: agm005753585 · Space group: P2/m (#10)

Basic Information

Formula
V3OsPt2
Alex-ID
agm005753585
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
170.76
ų
Cell a
2.7540
Å
Cell b
4.6584
Å
Cell c
13.9493
Å
α angle
107.40
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V3OsPt2
V
6.00 · 50.0%
Os
2.00 · 16.7%
Pt
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0445
eV/atom
Formation energy
-0.4140
eV/atom
Corrected total energy
-106.4915
eV
Raw total energy
-106.4915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.4490
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_889_spg10

Decomposition

V5Os3 VOs5 VPt

Computed at

2023-08-25 07:56:44.563852

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: agm005753585).

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 agm005753585
data_agm005753585
_cell_length_a     2.75400
_cell_length_b     4.65835
_cell_length_c     13.94935
_cell_angle_alpha  107.40471
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       170.76427
_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 0.50008 0.47416 0.65530 1.00000
  V2 V 0.50026 0.00000 0.50000 1.00000
  V3 V 0.50008 0.52584 0.34470 1.00000
  V4 V 0.49992 0.97416 0.15530 1.00000
  V5 V 0.49974 0.50000 0.00000 1.00000
  V6 V 0.49992 0.02584 0.84470 1.00000
  Os1 Os 0.00026 0.50000 0.50000 1.00000
  Os2 Os 0.99974 0.00000 0.00000 1.00000
  Pt1 Pt 0.00012 0.98934 0.67123 1.00000
  Pt2 Pt 0.00012 0.01066 0.32877 1.00000
  Pt3 Pt 0.99988 0.48934 0.17123 1.00000
  Pt4 Pt 0.99988 0.51066 0.82877 1.00000
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