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HoGa2Pt3

Alexandria ALEX

Alex-ID: agm034960109 · Space group: C2/m (#12)

Basic Information

Formula
HoGa2Pt3
Alex-ID
agm034960109
Elements
3
Sites
18
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
322.57
ų
Cell a
8.4883
Å
Cell b
8.4883
Å
Cell c
9.9517
Å
α angle
81.02
°
β angle
98.98
°
γ angle
152.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoGa2Pt3
Ho
3.00 · 16.7%
Ga
6.00 · 33.3%
Pt
9.00 · 50.0%

Energy & Stability

Energy above hull
0.0750
eV/atom
Formation energy
-0.8719
eV/atom
Corrected total energy
-102.3976
eV
Raw total energy
-102.3976
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.3494
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_326_spg12

Decomposition

HoGa2Pt3

Computed at

2025-04-14 01:35:37

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: agm034960109).

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 agm034960109
data_agm034960109
_cell_length_a     8.48828
_cell_length_b     8.48828
_cell_length_c     9.95171
_cell_angle_alpha  81.02246
_cell_angle_beta   98.97754
_cell_angle_gamma  152.88498
_cell_volume       322.56856
_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 0.87379 0.12621 0.34251 1.00000
  Ho2 Ho 0.12621 0.87379 0.65749 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ga1 Ga 0.80451 0.19549 0.94536 1.00000
  Ga2 Ga 0.19549 0.80451 0.05464 1.00000
  Ga3 Ga 0.50648 0.49352 0.75849 1.00000
  Ga4 Ga 0.49352 0.50648 0.24151 1.00000
  Ga5 Ga 0.67982 0.32018 0.43440 1.00000
  Ga6 Ga 0.32018 0.67982 0.56560 1.00000
  Pt1 Pt 0.92484 0.07516 0.64710 1.00000
  Pt2 Pt 0.07516 0.92484 0.35290 1.00000
  Pt3 Pt 0.75442 0.24558 0.68566 1.00000
  Pt4 Pt 0.24558 0.75442 0.31434 1.00000
  Pt5 Pt 0.37283 0.62717 0.83836 1.00000
  Pt6 Pt 0.62717 0.37283 0.16164 1.00000
  Pt7 Pt 0.50000 0.50000 0.50000 1.00000
  Pt8 Pt 0.64556 0.35444 0.89040 1.00000
  Pt9 Pt 0.35444 0.64556 0.10960 1.00000
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