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Ho2SnPt2

Alexandria ALEX

Alex-ID: agm002320249 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2SnPt2
Alex-ID
agm002320249
Elements
3
Sites
5
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
112.53
ų
Cell a
3.5950
Å
Cell b
4.3098
Å
Cell c
7.5759
Å
α angle
106.53
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2SnPt2
Ho
2.00 · 40.0%
Pt
2.00 · 40.0%
Sn
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0761
eV/atom
Formation energy
-1.0906
eV/atom
Corrected total energy
-30.7889
eV
Raw total energy
-30.7889
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0173
eV
DOS at Fermi level
3.0411
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_4_spg65

Decomposition

HoSnPt HoPt

Computed at

2018-08-31 04:30:30

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: agm002320249).

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 agm002320249
data_agm002320249
_cell_length_a     3.59500
_cell_length_b     4.30975
_cell_length_c     7.57589
_cell_angle_alpha  106.52580
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       112.52896
_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 0.63599 0.27130 1.00000
  Ho2 Ho 0.50000 0.36401 0.72870 1.00000
  Pt1 Pt 0.00000 0.18921 0.37820 1.00000
  Pt2 Pt 0.00000 0.81079 0.62180 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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