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Ho2Pd2Pt

Alexandria ALEX

Alex-ID: agm003405802 · Space group: Ibam (#72)

Basic Information

Formula
Ho2Pd2Pt
Alex-ID
agm003405802
Elements
3
Sites
10
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
221.21
ų
Cell a
5.6972
Å
Cell b
6.0438
Å
Cell c
7.6498
Å
α angle
113.27
°
β angle
111.86
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Pd2Pt
Ho
4.00 · 40.0%
Pd
4.00 · 40.0%
Pt
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2492
eV/atom
Formation energy
-0.8222
eV/atom
Corrected total energy
-59.4833
eV
Raw total energy
-59.4833
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0454
eV
DOS at Fermi level
3.9121
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_30_spg72

Decomposition

Ho3Pd5 HoPd3 HoPt

Computed at

2022-02-11 15:09:44.119852

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: agm003405802).

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 agm003405802
data_agm003405802
_cell_length_a     5.69720
_cell_length_b     6.04382
_cell_length_c     7.64980
_cell_angle_alpha  113.26791
_cell_angle_beta   111.86223
_cell_angle_gamma  90.00000
_cell_volume       221.21055
_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 0.34087 0.57492 0.68175 1.00000
  Ho2 Ho 0.65913 0.42508 0.31825 1.00000
  Ho3 Ho 0.15913 0.89318 0.31825 1.00000
  Ho4 Ho 0.84087 0.10682 0.68175 1.00000
  Pd1 Pd 0.88197 0.69030 0.76394 1.00000
  Pd2 Pd 0.11803 0.30970 0.23606 1.00000
  Pd3 Pd 0.61803 0.92636 0.23606 1.00000
  Pd4 Pd 0.38197 0.07364 0.76394 1.00000
  Pt1 Pt 0.75000 0.50000 0.00000 1.00000
  Pt2 Pt 0.25000 0.50000 0.00000 1.00000
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