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Ho6Ga2Pt

Alexandria ALEX

Alex-ID: agm003487697 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho6Ga2Pt
Alex-ID
agm003487697
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
478.76
ų
Cell a
6.0599
Å
Cell b
8.2536
Å
Cell c
9.5872
Å
α angle
90.00
°
β angle
86.79
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Ga2Pt
Ho
12.00 · 66.7%
Ga
4.00 · 22.2%
Pt
2.00 · 11.1%

Energy & Stability

Energy above hull
0.1373
eV/atom
Formation energy
-0.4827
eV/atom
Corrected total energy
-87.9245
eV
Raw total energy
-87.9245
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0130
eV
DOS at Fermi level
19.9250
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C6_1057_spg14

Decomposition

Ho3Pt Ho3Ga2

Computed at

2022-02-24 15:15:36.555814

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: agm003487697).

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 agm003487697
data_agm003487697
_cell_length_a     6.05992
_cell_length_b     8.25356
_cell_length_c     9.58719
_cell_angle_alpha  90.00000
_cell_angle_beta   86.78562
_cell_angle_gamma  90.00000
_cell_volume       478.75766
_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 0.87971 0.96647 0.23123 1.00000
  Ho2 Ho 0.87562 0.67323 0.55935 1.00000
  Ho3 Ho 0.88967 0.67905 0.94091 1.00000
  Ho4 Ho 0.61033 0.17905 0.55909 1.00000
  Ho5 Ho 0.62438 0.17323 0.94065 1.00000
  Ho6 Ho 0.62029 0.46647 0.26877 1.00000
  Ho7 Ho 0.12029 0.03353 0.76877 1.00000
  Ho8 Ho 0.12438 0.32677 0.44065 1.00000
  Ho9 Ho 0.11033 0.32095 0.05909 1.00000
  Ho10 Ho 0.38967 0.82095 0.44091 1.00000
  Ho11 Ho 0.37562 0.82677 0.05935 1.00000
  Ho12 Ho 0.37971 0.53353 0.73123 1.00000
  Ga1 Ga 0.92854 0.37464 0.75208 1.00000
  Ga2 Ga 0.57146 0.87464 0.74792 1.00000
  Ga3 Ga 0.42854 0.12536 0.25208 1.00000
  Ga4 Ga 0.07146 0.62536 0.24792 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.00000 0.00000 0.50000 1.00000
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