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Ho2Al2CdPt5

Alexandria ALEX

Alex-ID: agm005131602 · Space group: P4/mbm (#127)

Basic Information

Formula
Ho2Al2CdPt5
Alex-ID
agm005131602
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
361.98
ų
Cell a
3.7517
Å
Cell b
9.8227
Å
Cell c
9.8227
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Al2CdPt5
Ho
4.00 · 20.0%
Al
4.00 · 20.0%
Cd
2.00 · 10.0%
Pt
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1401
eV/atom
Formation energy
-0.9048
eV/atom
Corrected total energy
-114.1188
eV
Raw total energy
-114.1188
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0172
eV
DOS at Fermi level
9.0159
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Ho3Pt5 Cd4Pt HoAl2Pt3 HoAl2Pt5

Computed at

2022-07-24 14:28:47.764352

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: agm005131602).

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 agm005131602
data_agm005131602
_cell_length_a     3.75167
_cell_length_b     9.82268
_cell_length_c     9.82268
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       361.97982
_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 0.00000 0.67774 0.17774 1.00000
  Ho2 Ho 0.00000 0.32226 0.82226 1.00000
  Ho3 Ho 0.00000 0.17774 0.32226 1.00000
  Ho4 Ho 0.00000 0.82226 0.67774 1.00000
  Al1 Al 0.00000 0.12040 0.62040 1.00000
  Al2 Al 0.00000 0.87960 0.37960 1.00000
  Al3 Al 0.00000 0.62040 0.87960 1.00000
  Al4 Al 0.00000 0.37960 0.12040 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Cd2 Cd 0.00000 0.50000 0.50000 1.00000
  Pt1 Pt 0.50000 0.21299 0.06744 1.00000
  Pt2 Pt 0.50000 0.78701 0.93256 1.00000
  Pt3 Pt 0.50000 0.06744 0.78701 1.00000
  Pt4 Pt 0.50000 0.71299 0.43256 1.00000
  Pt5 Pt 0.50000 0.93256 0.21299 1.00000
  Pt6 Pt 0.50000 0.28701 0.56744 1.00000
  Pt7 Pt 0.50000 0.56744 0.71299 1.00000
  Pt8 Pt 0.50000 0.43256 0.28701 1.00000
  Pt9 Pt 0.50000 0.50000 0.00000 1.00000
  Pt10 Pt 0.50000 0.00000 0.50000 1.00000
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