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Ho4SnRu

Alexandria ALEX

Alex-ID: agm005802175 · Space group: C2/c (#15)

Basic Information

Formula
Ho4SnRu
Alex-ID
agm005802175
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
329.05
ų
Cell a
6.0968
Å
Cell b
8.0064
Å
Cell c
8.0064
Å
α angle
112.87
°
β angle
102.98
°
γ angle
102.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4SnRu
Ho
8.00 · 66.7%
Sn
2.00 · 16.7%
Ru
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0413
eV/atom
Formation energy
-0.4895
eV/atom
Corrected total energy
-69.0599
eV
Raw total energy
-69.0599
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0044
eV
DOS at Fermi level
11.0235
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Ho26Sn7Ru10 Ho5Sn3 Ho5Ru2

Computed at

2023-07-31 05:22:53.425494

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: agm005802175).

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 agm005802175
data_agm005802175
_cell_length_a     6.09684
_cell_length_b     8.00639
_cell_length_c     8.00639
_cell_angle_alpha  112.86764
_cell_angle_beta   102.97960
_cell_angle_gamma  102.97960
_cell_volume       329.05305
_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 0.84147 0.64944 0.78961 1.00000
  Ho2 Ho 0.06541 0.94262 0.28003 1.00000
  Ho3 Ho 0.65853 0.21039 0.35056 1.00000
  Ho4 Ho 0.43459 0.71997 0.05738 1.00000
  Ho5 Ho 0.56541 0.28003 0.94262 1.00000
  Ho6 Ho 0.34147 0.78961 0.64944 1.00000
  Ho7 Ho 0.93459 0.05738 0.71997 1.00000
  Ho8 Ho 0.15853 0.35056 0.21039 1.00000
  Sn1 Sn 0.75000 0.62883 0.37117 1.00000
  Sn2 Sn 0.25000 0.37117 0.62883 1.00000
  Ru1 Ru 0.25000 0.00020 0.99980 1.00000
  Ru2 Ru 0.75000 0.99980 0.00020 1.00000
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