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Ho12Ni6Pt

Alexandria ALEX

Alex-ID: agm006127366 · Space group: Im-3 (#204)

Basic Information

Formula
Ho12Ni6Pt
Alex-ID
agm006127366
Elements
3
Sites
19
Space group
Im-3 (#204)
Crystal system
cubic
Volume
431.17
ų
Cell a
8.2431
Å
Cell b
8.2431
Å
Cell c
8.2431
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Ni6Pt
Ho
12.00 · 63.2%
Ni
6.00 · 31.6%
Pt
1.00 · 5.3%

Energy & Stability

Energy above hull
0.0512
eV/atom
Formation energy
-0.4056
eV/atom
Corrected total energy
-103.4400
eV
Raw total energy
-103.4400
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.1259
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB6C12_79_spg148

Decomposition

Ho3Ni Ho2Pt HoNi

Computed at

2023-08-26 01:46:35.107423

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: agm006127366).

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 agm006127366
data_agm006127366
_cell_length_a     8.24309
_cell_length_b     8.24309
_cell_length_c     8.24309
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       431.16932
_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 0.29783 0.11366 0.81583 1.00000
  Ho2 Ho 0.29783 0.48199 0.18417 1.00000
  Ho3 Ho 0.70217 0.51801 0.81583 1.00000
  Ho4 Ho 0.70217 0.88634 0.18417 1.00000
  Ho5 Ho 0.11366 0.81583 0.29783 1.00000
  Ho6 Ho 0.48199 0.18417 0.29783 1.00000
  Ho7 Ho 0.51801 0.81583 0.70217 1.00000
  Ho8 Ho 0.88634 0.18417 0.70217 1.00000
  Ho9 Ho 0.81583 0.29783 0.11366 1.00000
  Ho10 Ho 0.18417 0.29783 0.48199 1.00000
  Ho11 Ho 0.81583 0.70217 0.51801 1.00000
  Ho12 Ho 0.18417 0.70217 0.88634 1.00000
  Ni1 Ni 0.37344 0.50000 0.87344 1.00000
  Ni2 Ni 0.62656 0.50000 0.12656 1.00000
  Ni3 Ni 0.50000 0.87344 0.37344 1.00000
  Ni4 Ni 0.50000 0.12656 0.62656 1.00000
  Ni5 Ni 0.87344 0.37344 0.50000 1.00000
  Ni6 Ni 0.12656 0.62656 0.50000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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