Ho6Al7Pt16

Alexandria ALEX

Alex-ID: agm008643602 · Space group: Fm-3m (#225)

Alexandria Database API

Basic Information

Formula

Ho6Al7Pt16

Alex-ID

agm008643602

Elements

Sites

Space group

Fm-3m (#225)

Crystal system

cubic

Volume

508.37

Å³

Cell a

8.9584

Cell b

8.9584

Cell c

8.9584

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho6Al7Pt16

6.00 · 20.7%

7.00 · 24.1%

16.00 · 55.2%

Energy & Stability

Energy above hull

0.0069

eV/atom

Formation energy

-1.1425

eV/atom

Corrected total energy

-184.2311

Raw total energy

-184.2311

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

13.7759

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A6B7C16_3_spg225

Decomposition

HoAl2Pt5 Ho3Pt5 HoAl2Pt3

Computed at

2024-11-03 07:54:07.369832

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: agm008643602).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008643602
data_agm008643602
_cell_length_a     8.95844
_cell_length_b     8.95844
_cell_length_c     8.95844
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       508.37258
_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 0.78649 0.78649 0.21351 1.00000
  Ho2 Ho 0.21351 0.21351 0.78649 1.00000
  Ho3 Ho 0.78649 0.21351 0.21351 1.00000
  Ho4 Ho 0.21351 0.78649 0.78649 1.00000
  Ho5 Ho 0.21351 0.78649 0.21351 1.00000
  Ho6 Ho 0.78649 0.21351 0.78649 1.00000
  Al1 Al 0.50000 0.50000 0.50000 1.00000
  Al2 Al 0.50000 0.50000 0.00000 1.00000
  Al3 Al 0.00000 0.00000 0.50000 1.00000
  Al4 Al 0.50000 0.00000 0.00000 1.00000
  Al5 Al 0.00000 0.50000 0.50000 1.00000
  Al6 Al 0.00000 0.50000 0.00000 1.00000
  Al7 Al 0.50000 0.00000 0.50000 1.00000
  Pt1 Pt 0.61903 0.61903 0.14291 1.00000
  Pt2 Pt 0.14291 0.61903 0.61903 1.00000
  Pt3 Pt 0.61903 0.14291 0.61903 1.00000
  Pt4 Pt 0.61903 0.61903 0.61903 1.00000
  Pt5 Pt 0.85709 0.38097 0.38097 1.00000
  Pt6 Pt 0.38097 0.38097 0.85709 1.00000
  Pt7 Pt 0.38097 0.85709 0.38097 1.00000
  Pt8 Pt 0.38097 0.38097 0.38097 1.00000
  Pt9 Pt 0.83810 0.83810 0.48570 1.00000
  Pt10 Pt 0.48570 0.83810 0.83810 1.00000
  Pt11 Pt 0.83810 0.48570 0.83810 1.00000
  Pt12 Pt 0.83810 0.83810 0.83810 1.00000
  Pt13 Pt 0.51430 0.16190 0.16190 1.00000
  Pt14 Pt 0.16190 0.16190 0.51430 1.00000
  Pt15 Pt 0.16190 0.51430 0.16190 1.00000
  Pt16 Pt 0.16190 0.16190 0.16190 1.00000

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