Navigation

HEAS Data Platform · Materials Science Database

Ho6Cu8Ni

Alexandria ALEX

Alex-ID: agm072769766 · Space group: C2/m (#12)

Basic Information

Formula
Ho6Cu8Ni
Alex-ID
agm072769766
Elements
3
Sites
15
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
292.40
ų
Cell a
7.6193
Å
Cell b
7.6193
Å
Cell c
10.4699
Å
α angle
67.71
°
β angle
67.71
°
γ angle
31.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Cu8Ni
Ho
6.00 · 40.0%
Cu
8.00 · 53.3%
Ni
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0988
eV/atom
Formation energy
-0.1744
eV/atom
Corrected total energy
-69.1507
eV
Raw total energy
-69.1507
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0293
eV
DOS at Fermi level
12.8704
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_1064_spg12

Decomposition

Ho2CuNi HoCu2 HoCu

Computed at

2024-10-06 22:53:11.522589

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: agm072769766).

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 agm072769766
data_agm072769766
_cell_length_a     7.61930
_cell_length_b     7.61930
_cell_length_c     10.46990
_cell_angle_alpha  67.71150
_cell_angle_beta   67.71150
_cell_angle_gamma  31.56287
_cell_volume       292.39935
_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 0.64252 0.64252 0.50418 1.00000
  Ho2 Ho 0.35138 0.35138 0.02878 1.00000
  Ho3 Ho 0.06095 0.06095 0.27317 1.00000
  Ho4 Ho 0.35748 0.35748 0.49582 1.00000
  Ho5 Ho 0.64862 0.64862 0.97122 1.00000
  Ho6 Ho 0.93905 0.93905 0.72683 1.00000
  Cu1 Cu 0.86052 0.86052 0.26436 1.00000
  Cu2 Cu 0.13948 0.13948 0.73564 1.00000
  Cu3 Cu 0.46128 0.46128 0.19003 1.00000
  Cu4 Cu 0.74837 0.74837 0.68401 1.00000
  Cu5 Cu 0.71105 0.71105 0.20347 1.00000
  Cu6 Cu 0.53872 0.53872 0.80997 1.00000
  Cu7 Cu 0.25163 0.25163 0.31599 1.00000
  Cu8 Cu 0.28895 0.28895 0.79653 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Get direct link