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V3Ge2Rh3

Alexandria ALEX

Alex-ID: agm010072129 · Space group: Cm (#8)

Basic Information

Formula
V3Ge2Rh3
Alex-ID
agm010072129
Elements
3
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
110.96
ų
Cell a
3.9219
Å
Cell b
4.5860
Å
Cell c
7.7987
Å
α angle
115.94
°
β angle
90.00
°
γ angle
115.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V3Ge2Rh3
V
3.00 · 37.5%
Ge
2.00 · 25.0%
Rh
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0573
eV/atom
Formation energy
-0.3846
eV/atom
Corrected total energy
-61.7217
eV
Raw total energy
-61.7217
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0623
eV
DOS at Fermi level
6.9140
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C3_265_spg8

Decomposition

VGeRh2 V5GeRh6 V5Ge3

Computed at

2024-04-06 15:03:14

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: agm010072129).

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 agm010072129
data_agm010072129
_cell_length_a     3.92185
_cell_length_b     4.58600
_cell_length_c     7.79867
_cell_angle_alpha  115.94432
_cell_angle_beta   89.99714
_cell_angle_gamma  115.31324
_cell_volume       110.95936
_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 0.49924 0.99855 0.75156 1.00000
  V2 V 0.49433 0.98858 0.23857 1.00000
  V3 V 0.24970 0.49938 0.87694 1.00000
  Ge1 Ge 0.99996 0.99994 0.99680 1.00000
  Ge2 Ge 0.00231 0.00472 0.50371 1.00000
  Rh1 Rh 0.25208 0.50412 0.37662 1.00000
  Rh2 Rh 0.74634 0.49276 0.62813 1.00000
  Rh3 Rh 0.75603 0.51193 0.12766 1.00000
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