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V5Co2NiRh2

Alexandria ALEX

Alex-ID: agm005140519 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
V5Co2NiRh2
Alex-ID
agm005140519
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
264.81
ų
Cell a
2.9231
Å
Cell b
9.5180
Å
Cell c
9.5180
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5Co2NiRh2
V
10.00 · 50.0%
Co
4.00 · 20.0%
Ni
2.00 · 10.0%
Rh
4.00 · 20.0%

Energy & Stability

Energy above hull
0.3169
eV/atom
Formation energy
0.0323
eV/atom
Corrected total energy
-160.0092
eV
Raw total energy
-160.0092
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
24.9131
Total magnetisation
2.9593
μB

Additional Information

Prototype ID

AB2C2D5_49_spg127

Decomposition

VCo2Ni V3Rh VRh

Computed at

2022-07-24 15:56:07.500529

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: agm005140519).

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 agm005140519
data_agm005140519
_cell_length_a     2.92307
_cell_length_b     9.51800
_cell_length_c     9.51800
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       264.80750
_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 0.50000 0.18902 0.08042 1.00000
  V2 V 0.50000 0.81098 0.91958 1.00000
  V3 V 0.50000 0.08042 0.81098 1.00000
  V4 V 0.50000 0.68902 0.41958 1.00000
  V5 V 0.50000 0.91958 0.18902 1.00000
  V6 V 0.50000 0.31098 0.58042 1.00000
  V7 V 0.50000 0.58042 0.68902 1.00000
  V8 V 0.50000 0.41958 0.31098 1.00000
  V9 V 0.50000 0.50000 0.00000 1.00000
  V10 V 0.50000 0.00000 0.50000 1.00000
  Co1 Co 0.00000 0.13094 0.63094 1.00000
  Co2 Co 0.00000 0.86906 0.36906 1.00000
  Co3 Co 0.00000 0.63094 0.86906 1.00000
  Co4 Co 0.00000 0.36906 0.13094 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  Ni2 Ni 0.00000 0.50000 0.50000 1.00000
  Rh1 Rh 0.00000 0.66924 0.16924 1.00000
  Rh2 Rh 0.00000 0.33076 0.83076 1.00000
  Rh3 Rh 0.00000 0.16924 0.33076 1.00000
  Rh4 Rh 0.00000 0.83076 0.66924 1.00000
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