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Ho2Al8Ge2Pt5

Alexandria ALEX

Alex-ID: agm009255669 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2Al8Ge2Pt5
Alex-ID
agm009255669
Elements
4
Sites
17
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
314.38
ų
Cell a
18.1253
Å
Cell b
18.1253
Å
Cell c
4.1127
Å
α angle
90.00
°
β angle
90.00
°
γ angle
166.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Al8Ge2Pt5
Ho
2.00 · 11.8%
Al
8.00 · 47.1%
Ge
2.00 · 11.8%
Pt
5.00 · 29.4%

Energy & Stability

Energy above hull
0.0310
eV/atom
Formation energy
-0.9160
eV/atom
Corrected total energy
-94.3689
eV
Raw total energy
-94.3689
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0593
eV
DOS at Fermi level
10.0589
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5D8_8_spg65

Decomposition

HoAl5Pt3 Ho3Ge4 Ho4(Al8Pt3)3 Al3Pt2

Computed at

2024-05-09 10:30:23.325764

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: agm009255669).

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 agm009255669
data_agm009255669
_cell_length_a     18.12527
_cell_length_b     18.12527
_cell_length_c     4.11268
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  166.54522
_cell_volume       314.37553
_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 0.69918 0.30082 0.00000 1.00000
  Ho2 Ho 0.30082 0.69918 0.00000 1.00000
  Al1 Al 0.62532 0.37468 0.50000 1.00000
  Al2 Al 0.37468 0.62532 0.50000 1.00000
  Al3 Al 0.87682 0.12318 0.00000 1.00000
  Al4 Al 0.12318 0.87682 0.00000 1.00000
  Al5 Al 0.95773 0.04227 0.00000 1.00000
  Al6 Al 0.04227 0.95773 0.00000 1.00000
  Al7 Al 0.54077 0.45923 0.50000 1.00000
  Al8 Al 0.45923 0.54077 0.50000 1.00000
  Ge1 Ge 0.76760 0.23240 0.50000 1.00000
  Ge2 Ge 0.23240 0.76760 0.50000 1.00000
  Pt1 Pt 0.83538 0.16462 0.50000 1.00000
  Pt2 Pt 0.16462 0.83538 0.50000 1.00000
  Pt3 Pt 0.00000 0.00000 0.50000 1.00000
  Pt4 Pt 0.58324 0.41676 0.00000 1.00000
  Pt5 Pt 0.41676 0.58324 0.00000 1.00000
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