Navigation

HEAS Data Platform · Materials Science Database

Ho12InNi6

Alexandria ALEX

Alex-ID: agm003694271 · Space group: Im-3 (#204)

Basic Information

Formula
Ho12InNi6
Alex-ID
agm003694271
Elements
3
Sites
19
Space group
Im-3 (#204)
Crystal system
cubic
Volume
449.83
ų
Cell a
8.3603
Å
Cell b
8.3603
Å
Cell c
8.3603
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12InNi6
Ho
12.00 · 63.2%
In
1.00 · 5.3%
Ni
6.00 · 31.6%

Energy & Stability

Energy above hull
0.0029
eV/atom
Formation energy
-0.3742
eV/atom
Corrected total energy
-99.5248
eV
Raw total energy
-99.5248
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.6839
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB6C12_0_spg204

Decomposition

Ho12InNi5 Ho4InNi HoNi

Computed at

2022-04-13 02:51:49.347967

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: agm003694271).

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 agm003694271
data_agm003694271
_cell_length_a     8.36032
_cell_length_b     8.36032
_cell_length_c     8.36032
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       449.82872
_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 0.30277 0.11538 0.81260 1.00000
  Ho2 Ho 0.30277 0.49017 0.18740 1.00000
  Ho3 Ho 0.69723 0.50983 0.81260 1.00000
  Ho4 Ho 0.69723 0.88462 0.18740 1.00000
  Ho5 Ho 0.11538 0.81260 0.30277 1.00000
  Ho6 Ho 0.49017 0.18740 0.30277 1.00000
  Ho7 Ho 0.50983 0.81260 0.69723 1.00000
  Ho8 Ho 0.88462 0.18740 0.69723 1.00000
  Ho9 Ho 0.81260 0.30277 0.11538 1.00000
  Ho10 Ho 0.18740 0.30277 0.49017 1.00000
  Ho11 Ho 0.81260 0.69723 0.50983 1.00000
  Ho12 Ho 0.18740 0.69723 0.88462 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.37668 0.50000 0.87668 1.00000
  Ni2 Ni 0.62332 0.50000 0.12332 1.00000
  Ni3 Ni 0.50000 0.87668 0.37668 1.00000
  Ni4 Ni 0.50000 0.12332 0.62332 1.00000
  Ni5 Ni 0.87668 0.37668 0.50000 1.00000
  Ni6 Ni 0.12332 0.62332 0.50000 1.00000
Get direct link