Navigation

HEAS Data Platform · Materials Science Database

Ho(Ga2Pt3)2

Alexandria ALEX

Alex-ID: agm003661412 · Space group: I-42m (#121)

Basic Information

Formula
Ho(Ga2Pt3)2
Alex-ID
agm003661412
Elements
3
Sites
11
Space group
I-42m (#121)
Crystal system
tetragonal
Volume
207.79
ų
Cell a
6.6449
Å
Cell b
6.6449
Å
Cell c
6.6449
Å
α angle
90.18
°
β angle
119.90
°
γ angle
119.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Ga2Pt3)2
Ho
1.00 · 9.1%
Ga
4.00 · 36.4%
Pt
6.00 · 54.5%

Energy & Stability

Energy above hull
0.3081
eV/atom
Formation energy
-0.4867
eV/atom
Corrected total energy
-58.5777
eV
Raw total energy
-58.5777
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.2904
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C6_181_spg121

Decomposition

HoGa2Pt3 HoPt3 GaPt

Computed at

2022-04-08 10:59:56.114090

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: agm003661412).

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 agm003661412
data_agm003661412
_cell_length_a     6.64493
_cell_length_b     6.64493
_cell_length_c     6.64493
_cell_angle_alpha  90.17701
_cell_angle_beta   119.89786
_cell_angle_gamma  119.89786
_cell_volume       207.78922
_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 0.00000 0.00000 1.00000
  Ga1 Ga 0.00000 0.12333 0.53348 1.00000
  Ga2 Ga 0.58985 0.46652 0.46652 1.00000
  Ga3 Ga 0.00000 0.53348 0.12333 1.00000
  Ga4 Ga 0.41015 0.87667 0.87667 1.00000
  Pt1 Pt 0.00000 0.77296 0.44556 1.00000
  Pt2 Pt 0.00000 0.44556 0.77296 1.00000
  Pt3 Pt 0.67260 0.22704 0.22704 1.00000
  Pt4 Pt 0.50000 0.00000 0.50000 1.00000
  Pt5 Pt 0.32740 0.55444 0.55444 1.00000
  Pt6 Pt 0.50000 0.50000 0.00000 1.00000
Get direct link