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YHo2(TmRh)2

Alexandria ALEX

Alex-ID: agm016272425 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
YHo2(TmRh)2
Alex-ID
agm016272425
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
179.20
ų
Cell a
6.2550
Å
Cell b
6.2550
Å
Cell c
8.8540
Å
α angle
65.28
°
β angle
114.72
°
γ angle
144.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo2(TmRh)2
Y
1.00 · 14.3%
Ho
2.00 · 28.6%
Tm
2.00 · 28.6%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0207
eV/atom
Formation energy
-0.5985
eV/atom
Corrected total energy
-43.4558
eV
Raw total energy
-43.4558
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.0995
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Tm7Rh3 YHo2Rh Tm5Rh3

Computed at

2025-06-06 00:59:06

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: agm016272425).

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 agm016272425
data_agm016272425
_cell_length_a     6.25500
_cell_length_b     6.25500
_cell_length_c     8.85400
_cell_angle_alpha  65.27831
_cell_angle_beta   114.72169
_cell_angle_gamma  144.85582
_cell_volume       179.19674
_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
  Y1 Y 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.11496 0.88504 0.92945 1.00000
  Ho2 Ho 0.88504 0.11496 0.07055 1.00000
  Tm1 Tm 0.33252 0.66748 0.69271 1.00000
  Tm2 Tm 0.66748 0.33252 0.30729 1.00000
  Rh1 Rh 0.68078 0.31922 0.74255 1.00000
  Rh2 Rh 0.31922 0.68078 0.25745 1.00000
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