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Ho2U2Rh5

Alexandria ALEX

Alex-ID: agm009970071 · Space group: P-1 (#2)

Basic Information

Formula
Ho2U2Rh5
Alex-ID
agm009970071
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
174.80
ų
Cell a
5.2786
Å
Cell b
5.4755
Å
Cell c
6.9576
Å
α angle
97.60
°
β angle
115.54
°
γ angle
98.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2U2Rh5
Ho
2.00 · 22.2%
U
2.00 · 22.2%
Rh
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1097
eV/atom
Formation energy
-0.6401
eV/atom
Corrected total energy
-74.2513
eV
Raw total energy
-74.2513
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
11.0637
Total magnetisation
1.2035
μB

Additional Information

Prototype ID

A2B2C5_527_spg12

Decomposition

URh URh3 HoRh

Computed at

2024-03-31 23:31:57

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: agm009970071).

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 agm009970071
data_agm009970071
_cell_length_a     5.27863
_cell_length_b     5.47550
_cell_length_c     6.95759
_cell_angle_alpha  97.59540
_cell_angle_beta   115.54397
_cell_angle_gamma  98.82579
_cell_volume       174.79893
_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 0.95402 0.40933 0.72665 1.00000
  Ho2 Ho 0.04598 0.59067 0.27335 1.00000
  U1 U 0.42952 0.01763 0.79463 1.00000
  U2 U 0.57048 0.98237 0.20537 1.00000
  Rh1 Rh 0.47348 0.42731 0.18212 1.00000
  Rh2 Rh 0.52652 0.57269 0.81788 1.00000
  Rh3 Rh 0.23296 0.16656 0.44631 1.00000
  Rh4 Rh 0.76704 0.83344 0.55369 1.00000
  Rh5 Rh 0.00000 0.00000 0.00000 1.00000
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