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HoV2Ga2Rh7

Alexandria ALEX

Alex-ID: agm032187556 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
HoV2Ga2Rh7
Alex-ID
agm032187556
Elements
4
Sites
12
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
177.26
ų
Cell a
4.0363
Å
Cell b
4.0363
Å
Cell c
11.2480
Å
α angle
79.67
°
β angle
100.33
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoV2Ga2Rh7
Ho
1.00 · 8.3%
V
2.00 · 16.7%
Ga
2.00 · 16.7%
Rh
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6130
eV/atom
Corrected total energy
-87.6905
eV
Raw total energy
-87.6905
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0193
eV
DOS at Fermi level
7.6344
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D7_419_spg2

Decomposition

HoV2Ga2Rh7

Computed at

2025-01-19 11:32:18

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: agm032187556).

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 agm032187556
data_agm032187556
_cell_length_a     4.03631
_cell_length_b     4.03631
_cell_length_c     11.24796
_cell_angle_alpha  79.66978
_cell_angle_beta   100.33022
_cell_angle_gamma  90.01155
_cell_volume       177.26014
_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
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  V1 V 0.16830 0.83170 0.83643 1.00000
  V2 V 0.83170 0.16830 0.16357 1.00000
  Ga1 Ga 0.32644 0.67356 0.15328 1.00000
  Ga2 Ga 0.67356 0.32644 0.84672 1.00000
  Rh1 Rh 0.50000 0.50000 0.50000 1.00000
  Rh2 Rh 0.74999 0.74999 1.00000 1.00000
  Rh3 Rh 0.25001 0.25001 0.00000 1.00000
  Rh4 Rh 0.59798 0.90199 0.69574 1.00000
  Rh5 Rh 0.09801 0.40202 0.69574 1.00000
  Rh6 Rh 0.90199 0.59798 0.30426 1.00000
  Rh7 Rh 0.40202 0.09801 0.30426 1.00000
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