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Ho3Ga8Pt3

Alexandria ALEX

Alex-ID: agm008353370 · Space group: Cm (#8)

Basic Information

Formula
Ho3Ga8Pt3
Alex-ID
agm008353370
Elements
3
Sites
14
Space group
Cm (#8)
Crystal system
monoclinic
Volume
262.59
ų
Cell a
8.1512
Å
Cell b
8.1512
Å
Cell c
9.7495
Å
α angle
54.38
°
β angle
54.38
°
γ angle
30.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Ga8Pt3
Ho
3.00 · 21.4%
Ga
8.00 · 57.1%
Pt
3.00 · 21.4%

Energy & Stability

Energy above hull
0.0587
eV/atom
Formation energy
-0.7550
eV/atom
Corrected total energy
-66.8046
eV
Raw total energy
-66.8046
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8794
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_152_spg8

Decomposition

HoGa2Pt Ho4Ga12Pt Ho4(Ga8Pt3)3

Computed at

2024-05-03 21:12:59.366392

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: agm008353370).

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 agm008353370
data_agm008353370
_cell_length_a     8.15124
_cell_length_b     8.15124
_cell_length_c     9.74947
_cell_angle_alpha  54.38249
_cell_angle_beta   54.38249
_cell_angle_gamma  30.56292
_cell_volume       262.58665
_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 0.69748 0.69748 0.29745 1.00000
  Ho2 Ho 0.30928 0.30928 0.68371 1.00000
  Ho3 Ho 0.98967 0.98967 0.01933 1.00000
  Ga1 Ga 0.50578 0.50578 0.68640 1.00000
  Ga2 Ga 0.49827 0.49827 0.29651 1.00000
  Ga3 Ga 0.84315 0.84315 0.43243 1.00000
  Ga4 Ga 0.14456 0.14456 0.58106 1.00000
  Ga5 Ga 0.85469 0.85469 0.86365 1.00000
  Ga6 Ga 0.15749 0.15749 0.11806 1.00000
  Ga7 Ga 0.00039 0.00039 0.49228 1.00000
  Ga8 Ga 0.65241 0.65241 0.73627 1.00000
  Pt1 Pt 0.33551 0.33551 0.30257 1.00000
  Pt2 Pt 0.65654 0.65654 0.98449 1.00000
  Pt3 Pt 0.35478 0.35478 0.00578 1.00000
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