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Ho8Ge3Te4Rh

Alexandria ALEX

Alex-ID: agm004711684 · Space group: R-3m (#166)

Basic Information

Formula
Ho8Ge3Te4Rh
Alex-ID
agm004711684
Elements
4
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
432.52
ų
Cell a
8.3975
Å
Cell b
8.5833
Å
Cell c
8.3979
Å
α angle
119.30
°
β angle
120.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Ge3Te4Rh
Ho
8.00 · 50.0%
Ge
3.00 · 18.8%
Te
4.00 · 25.0%
Rh
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0532
eV/atom
Formation energy
-1.1166
eV/atom
Corrected total energy
-88.2646
eV
Raw total energy
-88.2646
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8346
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4D8_20_spg12

Decomposition

Ho2GeTe HoRh Ho3GeTe2

Computed at

2023-02-03 19:59:59.738787

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: agm004711684).

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 agm004711684
data_agm004711684
_cell_length_a     8.39745
_cell_length_b     8.58327
_cell_length_c     8.39787
_cell_angle_alpha  119.29559
_cell_angle_beta   119.99837
_cell_angle_gamma  90.00000
_cell_volume       432.52153
_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 0.23625 0.71427 0.97803 1.00000
  Ho2 Ho 0.23629 0.71431 0.47258 1.00000
  Ho3 Ho 0.25936 0.27811 0.51872 1.00000
  Ho4 Ho 0.74178 0.71427 0.97803 1.00000
  Ho5 Ho 0.25822 0.28573 0.02197 1.00000
  Ho6 Ho 0.74064 0.72189 0.48128 1.00000
  Ho7 Ho 0.76371 0.28569 0.52742 1.00000
  Ho8 Ho 0.76375 0.28573 0.02197 1.00000
  Ge1 Ge 0.50000 0.50000 0.00000 1.00000
  Ge2 Ge 0.50000 0.50000 0.50000 1.00000
  Ge3 Ge 0.00000 0.50000 0.50000 1.00000
  Te1 Te 0.50000 0.00000 0.00000 1.00000
  Te2 Te 0.50000 0.00000 0.50000 1.00000
  Te3 Te 0.00000 0.00000 0.00000 1.00000
  Te4 Te 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.00000 0.50000 0.00000 1.00000
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