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Ho3(SnRh)2

Alexandria ALEX

Alex-ID: agm009147996 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(SnRh)2
Alex-ID
agm009147996
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.77
ų
Cell a
6.5693
Å
Cell b
6.5693
Å
Cell c
7.5015
Å
α angle
101.28
°
β angle
101.28
°
γ angle
29.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(SnRh)2
Ho
3.00 · 42.9%
Sn
2.00 · 28.6%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2619
eV/atom
Formation energy
-0.6012
eV/atom
Corrected total energy
-40.6526
eV
Raw total energy
-40.6526
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5306
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_22_spg12

Decomposition

HoSnRh Ho5Sn3 HoRh

Computed at

2024-06-01 11:19:56.496953

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: agm009147996).

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 agm009147996
data_agm009147996
_cell_length_a     6.56926
_cell_length_b     6.56926
_cell_length_c     7.50147
_cell_angle_alpha  101.28367
_cell_angle_beta   101.28367
_cell_angle_gamma  29.63604
_cell_volume       156.76644
_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 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.38401 0.38401 0.54457 1.00000
  Ho3 Ho 0.61599 0.61599 0.45543 1.00000
  Sn1 Sn 0.21785 0.21785 0.16152 1.00000
  Sn2 Sn 0.78215 0.78215 0.83848 1.00000
  Rh1 Rh 0.10471 0.10471 0.76034 1.00000
  Rh2 Rh 0.89529 0.89529 0.23966 1.00000
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