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HoMgSi2Rh

Alexandria ALEX

Alex-ID: agm045130192 · Space group: I-4m2 (#119)

Basic Information

Formula
HoMgSi2Rh
Alex-ID
agm045130192
Elements
4
Sites
5
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
86.83
ų
Cell a
6.1609
Å
Cell b
6.1609
Å
Cell c
6.1609
Å
α angle
142.31
°
β angle
142.31
°
γ angle
54.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMgSi2Rh
Ho
1.00 · 20.0%
Mg
1.00 · 20.0%
Si
2.00 · 40.0%
Rh
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0170
eV/atom
Formation energy
-0.7672
eV/atom
Corrected total energy
-28.2065
eV
Raw total energy
-28.2065
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1710
eV
DOS at Fermi level
1.3334
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_37_spg107

Decomposition

Mg2SiRh Ho2Si3Rh

Computed at

2025-04-16 16:18:12

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: agm045130192).

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 agm045130192
data_agm045130192
_cell_length_a     6.16095
_cell_length_b     6.16095
_cell_length_c     6.16095
_cell_angle_alpha  142.30623
_cell_angle_beta   142.30623
_cell_angle_gamma  54.36778
_cell_volume       86.83270
_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 0.00000 1.00000
  Mg1 Mg 0.25000 0.75000 0.50000 1.00000
  Si1 Si 0.39397 0.39397 0.00000 1.00000
  Si2 Si 0.60603 0.60603 0.00000 1.00000
  Rh1 Rh 0.75000 0.25000 0.50000 1.00000
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