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Ho(Al2Sn3)2

Alexandria ALEX

Alex-ID: agm002249063 · Space group: Cm (#8)

Basic Information

Formula
Ho(Al2Sn3)2
Alex-ID
agm002249063
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
274.88
ų
Cell a
6.0593
Å
Cell b
6.0593
Å
Cell c
8.5486
Å
α angle
109.89
°
β angle
109.89
°
γ angle
90.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Al2Sn3)2
Al
4.00 · 36.4%
Ho
1.00 · 9.1%
Sn
6.00 · 54.5%

Energy & Stability

Energy above hull
0.1352
eV/atom
Formation energy
-0.0245
eV/atom
Corrected total energy
-43.8469
eV
Raw total energy
-43.8469
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2987
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C6_73_spg8

Decomposition

HoSn3 Sn Al

Computed at

2023-03-24 04:02:56.604827

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: agm002249063).

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 agm002249063
data_agm002249063
_cell_length_a     6.05931
_cell_length_b     6.05931
_cell_length_c     8.54855
_cell_angle_alpha  109.88913
_cell_angle_beta   109.88914
_cell_angle_gamma  90.36266
_cell_volume       274.87981
_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
  Al1 Al 0.59004 0.13501 0.71597 1.00000
  Al2 Al 0.41242 0.41242 0.28435 1.00000
  Al3 Al 0.13501 0.59004 0.71597 1.00000
  Al4 Al 0.86147 0.86147 0.28367 1.00000
  Ho1 Ho 0.00006 0.00006 0.00004 1.00000
  Sn1 Sn 0.40976 0.92129 0.34194 1.00000
  Sn2 Sn 0.92129 0.40976 0.34194 1.00000
  Sn3 Sn 0.07872 0.07872 0.65689 1.00000
  Sn4 Sn 0.50012 0.00185 0.99998 1.00000
  Sn5 Sn 0.58905 0.58905 0.65959 1.00000
  Sn6 Sn 0.00185 0.50012 0.99998 1.00000
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