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Ho2Tm2Rh3

Alexandria ALEX

Alex-ID: agm003306017 · Space group: R-3m (#166)

Basic Information

Formula
Ho2Tm2Rh3
Alex-ID
agm003306017
Elements
3
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
154.19
ų
Cell a
4.7520
Å
Cell b
4.7540
Å
Cell c
8.3521
Å
α angle
106.67
°
β angle
89.96
°
γ angle
120.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm2Rh3
Ho
2.00 · 28.6%
Tm
2.00 · 28.6%
Rh
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0222
eV/atom
Formation energy
-0.8397
eV/atom
Corrected total energy
-46.0320
eV
Raw total energy
-46.0320
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3585
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_273_spg166

Decomposition

Tm5Rh3 HoTm2Rh3 Ho5Rh3

Computed at

2022-02-03 21:40:10.258810

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: agm003306017).

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 agm003306017
data_agm003306017
_cell_length_a     4.75196
_cell_length_b     4.75397
_cell_length_c     8.35206
_cell_angle_alpha  106.66896
_cell_angle_beta   89.95687
_cell_angle_gamma  120.00584
_cell_volume       154.19211
_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 0.87534 0.75063 0.62567 1.00000
  Ho2 Ho 0.12466 0.24937 0.37433 1.00000
  Tm1 Tm 0.62449 0.24907 0.87400 1.00000
  Tm2 Tm 0.37551 0.75093 0.12600 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.74858 0.49717 0.24566 1.00000
  Rh3 Rh 0.25142 0.50283 0.75434 1.00000
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