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Ho3InRh

Alexandria ALEX

Alex-ID: agm005802785 · Space group: C2/m (#12)

Basic Information

Formula
Ho3InRh
Alex-ID
agm005802785
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
268.33
ų
Cell a
5.4393
Å
Cell b
6.5106
Å
Cell c
9.1048
Å
α angle
68.39
°
β angle
72.62
°
γ angle
65.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3InRh
Ho
6.00 · 60.0%
In
2.00 · 20.0%
Rh
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1229
eV/atom
Formation energy
-0.5030
eV/atom
Corrected total energy
-52.7434
eV
Raw total energy
-52.7434
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0354
eV
DOS at Fermi level
7.8117
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_5018_spg12

Decomposition

Ho21(In2Rh5)2 Ho11In9Rh4 Ho4InRh

Computed at

2023-07-05 14:15:47.310590

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: agm005802785).

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 agm005802785
data_agm005802785
_cell_length_a     5.43931
_cell_length_b     6.51059
_cell_length_c     9.10483
_cell_angle_alpha  68.39295
_cell_angle_beta   72.61989
_cell_angle_gamma  65.30848
_cell_volume       268.32913
_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 0.88843 0.99499 0.22816 1.00000
  Ho2 Ho 0.11157 0.00501 0.77184 1.00000
  Ho3 Ho 0.61034 0.68032 0.09900 1.00000
  Ho4 Ho 0.38966 0.31968 0.90100 1.00000
  Ho5 Ho 0.84296 0.65788 0.65620 1.00000
  Ho6 Ho 0.15704 0.34212 0.34380 1.00000
  In1 In 0.38984 0.76464 0.45569 1.00000
  In2 In 0.61016 0.23536 0.54431 1.00000
  Rh1 Rh 0.13967 0.66552 0.05515 1.00000
  Rh2 Rh 0.86033 0.33448 0.94485 1.00000
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