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HoGe3Rh2

Alexandria ALEX

Alex-ID: agm005802000 · Space group: C2/m (#12)

Basic Information

Formula
HoGe3Rh2
Alex-ID
agm005802000
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
213.72
ų
Cell a
4.1487
Å
Cell b
7.3867
Å
Cell c
8.4489
Å
α angle
120.55
°
β angle
104.21
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoGe3Rh2
Ho
2.00 · 16.7%
Ge
6.00 · 50.0%
Rh
4.00 · 33.3%

Energy & Stability

Energy above hull
0.1337
eV/atom
Formation energy
-0.6089
eV/atom
Corrected total energy
-73.5737
eV
Raw total energy
-73.5737
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0097
eV
DOS at Fermi level
5.3342
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_846_spg12

Decomposition

Ho2Ge5Rh3 Ho(GeRh)2 HoGe7Rh3

Computed at

2023-08-18 06:47:30.334219

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: agm005802000).

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 agm005802000
data_agm005802000
_cell_length_a     4.14875
_cell_length_b     7.38668
_cell_length_c     8.44886
_cell_angle_alpha  120.55076
_cell_angle_beta   104.21261
_cell_angle_gamma  90.00002
_cell_volume       213.72190
_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 0.12767 0.10617 0.25534 1.00000
  Ho2 Ho 0.87233 0.89383 0.74466 1.00000
  Ge1 Ge 0.67982 0.46373 0.35963 1.00000
  Ge2 Ge 0.03549 0.39217 0.07099 1.00000
  Ge3 Ge 0.33190 0.13763 0.66380 1.00000
  Ge4 Ge 0.66810 0.86237 0.33620 1.00000
  Ge5 Ge 0.96451 0.60783 0.92901 1.00000
  Ge6 Ge 0.32018 0.53627 0.64037 1.00000
  Rh1 Rh 0.50272 0.19009 0.00544 1.00000
  Rh2 Rh 0.49728 0.80991 0.99456 1.00000
  Rh3 Rh 0.20965 0.70409 0.41931 1.00000
  Rh4 Rh 0.79035 0.29591 0.58069 1.00000
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