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Ho2Sn3Pd

Alexandria ALEX

Alex-ID: agm019861334 · Space group: Cm (#8)

Basic Information

Formula
Ho2Sn3Pd
Alex-ID
agm019861334
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
145.24
ų
Cell a
4.6293
Å
Cell b
6.0708
Å
Cell c
6.1579
Å
α angle
71.79
°
β angle
67.90
°
γ angle
67.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Sn3Pd
Ho
2.00 · 33.3%
Sn
3.00 · 50.0%
Pd
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0982
eV/atom
Formation energy
-0.6582
eV/atom
Corrected total energy
-30.3074
eV
Raw total energy
-30.3074
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1842
eV
DOS at Fermi level
3.5221
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_925_spg44

Decomposition

HoSn2 HoSnPd

Computed at

2025-04-14 05:39:54

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: agm019861334).

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 agm019861334
data_agm019861334
_cell_length_a     4.62929
_cell_length_b     6.07076
_cell_length_c     6.15787
_cell_angle_alpha  71.78872
_cell_angle_beta   67.89612
_cell_angle_gamma  67.50944
_cell_volume       145.24154
_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 0.44656 0.81456 0.29177 1.00000
  Ho2 Ho 0.56340 0.18678 0.68511 1.00000
  Sn1 Sn 0.12426 0.40330 0.34624 1.00000
  Sn2 Sn 0.18566 0.76883 0.86193 1.00000
  Sn3 Sn 0.84823 0.21163 0.09041 1.00000
  Pd1 Pd 0.83189 0.61491 0.72453 1.00000
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