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Ho3(GaPt)4

Alexandria ALEX

Alex-ID: agm005706719 · Space group: Immm (#71)

Basic Information

Formula
Ho3(GaPt)4
Alex-ID
agm005706719
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
210.50
ų
Cell a
4.0904
Å
Cell b
7.2192
Å
Cell c
8.2477
Å
α angle
115.95
°
β angle
104.36
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(GaPt)4
Ho
3.00 · 27.3%
Ga
4.00 · 36.4%
Pt
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0160
eV/atom
Formation energy
-1.0283
eV/atom
Corrected total energy
-61.5165
eV
Raw total energy
-61.5165
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8042
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_1_spg71

Decomposition

HoGa2Pt Ho4Ga6Pt7 HoGaPt

Computed at

2023-06-29 19:42:31.928233

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: agm005706719).

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 agm005706719
data_agm005706719
_cell_length_a     4.09045
_cell_length_b     7.21916
_cell_length_c     8.24772
_cell_angle_alpha  115.95377
_cell_angle_beta   104.35769
_cell_angle_gamma  90.00000
_cell_volume       210.49633
_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 0.12311 0.12311 0.24622 1.00000
  Ho2 Ho 0.87689 0.87689 0.75378 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
  Ga1 Ga 0.32669 0.12536 0.65337 1.00000
  Ga2 Ga 0.67331 0.47199 0.34663 1.00000
  Ga3 Ga 0.67331 0.87464 0.34663 1.00000
  Ga4 Ga 0.32669 0.52801 0.65337 1.00000
  Pt1 Pt 0.21568 0.71568 0.43137 1.00000
  Pt2 Pt 0.78432 0.28432 0.56863 1.00000
  Pt3 Pt 0.50000 0.79987 0.00000 1.00000
  Pt4 Pt 0.50000 0.20013 1.00000 1.00000
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