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Y2Ho3Rh

Alexandria ALEX

Alex-ID: agm015476955 · Space group: P-1 (#2)

Basic Information

Formula
Y2Ho3Rh
Alex-ID
agm015476955
Elements
3
Sites
12
Space group
P-1 (#2)
Crystal system
triclinic
Volume
345.54
ų
Cell a
6.8304
Å
Cell b
6.8904
Å
Cell c
7.9348
Å
α angle
105.28
°
β angle
102.17
°
γ angle
76.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y2Ho3Rh
Y
4.00 · 33.3%
Ho
6.00 · 50.0%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0885
eV/atom
Formation energy
-0.2728
eV/atom
Corrected total energy
-71.2993
eV
Raw total energy
-71.2993
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0107
eV
DOS at Fermi level
16.9690
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1805_spg2

Decomposition

Y15Ho YHo2Rh Ho3Rh

Computed at

2025-04-14 16:01:23

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: agm015476955).

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 agm015476955
data_agm015476955
_cell_length_a     6.83044
_cell_length_b     6.89035
_cell_length_c     7.93484
_cell_angle_alpha  105.27657
_cell_angle_beta   102.17002
_cell_angle_gamma  76.26118
_cell_volume       345.53703
_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 0.40156 0.24217 0.64764 1.00000
  Y2 Y 0.86199 0.40667 0.60720 1.00000
  Y3 Y 0.13801 0.59333 0.39280 1.00000
  Y4 Y 0.59844 0.75783 0.35236 1.00000
  Ho1 Ho 0.78743 0.41366 0.00762 1.00000
  Ho2 Ho 0.21257 0.58634 0.99238 1.00000
  Ho3 Ho 0.91667 0.93477 0.75495 1.00000
  Ho4 Ho 0.52891 0.19577 0.20172 1.00000
  Ho5 Ho 0.47109 0.80423 0.79828 1.00000
  Ho6 Ho 0.08333 0.06523 0.24505 1.00000
  Rh1 Rh 0.18006 0.18574 0.93330 1.00000
  Rh2 Rh 0.81994 0.81426 0.06670 1.00000
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