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V5Pt

Alexandria ALEX

Alex-ID: agm005546196 · Space group: C2/m (#12)

Basic Information

Formula
V5Pt
Alex-ID
agm005546196
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
82.21
ų
Cell a
3.0746
Å
Cell b
4.9648
Å
Cell c
5.9678
Å
α angle
107.44
°
β angle
90.00
°
γ angle
108.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5Pt
V
5.00 · 83.3%
Pt
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0186
eV/atom
Formation energy
-0.2794
eV/atom
Corrected total energy
-53.3575
eV
Raw total energy
-53.3575
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2112
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_208_spg12

Decomposition

V8Pt V3Pt

Computed at

2023-05-29 07:12:13.692414

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: agm005546196).

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 agm005546196
data_agm005546196
_cell_length_a     3.07464
_cell_length_b     4.96483
_cell_length_c     5.96779
_cell_angle_alpha  107.44116
_cell_angle_beta   90.00000
_cell_angle_gamma  108.03769
_cell_volume       82.20547
_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 0.30432 0.60864 0.60145 1.00000
  V2 V 0.64013 0.28026 0.28744 1.00000
  V3 V 0.64536 0.29072 0.77213 1.00000
  V4 V 0.97223 0.94445 0.44444 1.00000
  V5 V 0.29908 0.59816 0.11675 1.00000
  Pt1 Pt 0.97222 0.94444 0.94445 1.00000
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