Navigation

HEAS Data Platform · Materials Science Database

HoGe2Rh

Alexandria ALEX

Alex-ID: agm005702295 · Space group: Immm (#71)

Basic Information

Formula
HoGe2Rh
Alex-ID
agm005702295
Elements
3
Sites
16
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
303.68
ų
Cell a
4.2478
Å
Cell b
8.9086
Å
Cell c
9.4208
Å
α angle
118.22
°
β angle
103.03
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoGe2Rh
Ho
4.00 · 25.0%
Ge
8.00 · 50.0%
Rh
4.00 · 25.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8329
eV/atom
Corrected total energy
-97.9847
eV
Raw total energy
-97.9847
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0415
eV
DOS at Fermi level
5.9519
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_201_spg71

Decomposition

HoGe2Rh

Computed at

2023-07-12 02:43:19.569751

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: agm005702295).

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 agm005702295
data_agm005702295
_cell_length_a     4.24777
_cell_length_b     8.90861
_cell_length_c     9.42075
_cell_angle_alpha  118.21735
_cell_angle_beta   103.02922
_cell_angle_gamma  89.99999
_cell_volume       303.67605
_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 0.70490 0.70490 0.40979 1.00000
  Ho2 Ho 0.50000 0.26402 0.00000 1.00000
  Ho3 Ho 0.50000 0.73598 1.00000 1.00000
  Ho4 Ho 0.29510 0.29510 0.59021 1.00000
  Ge1 Ge 0.92313 0.42313 0.84627 1.00000
  Ge2 Ge 0.69981 0.35219 0.39962 1.00000
  Ge3 Ge 0.69981 0.04743 0.39962 1.00000
  Ge4 Ge 0.30019 0.64781 0.60038 1.00000
  Ge5 Ge 0.07857 0.07857 0.15714 1.00000
  Ge6 Ge 0.07687 0.57687 0.15373 1.00000
  Ge7 Ge 0.92143 0.92143 0.84286 1.00000
  Ge8 Ge 0.30019 0.95257 0.60038 1.00000
  Rh1 Rh 0.85428 0.60483 0.70855 1.00000
  Rh2 Rh 0.14572 0.39517 0.29145 1.00000
  Rh3 Rh 0.14572 0.89628 0.29145 1.00000
  Rh4 Rh 0.85428 0.10372 0.70855 1.00000
Get direct link