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Ho3CdNi8

Alexandria ALEX

Alex-ID: agm003585387 · Space group: R3m (#160)

Basic Information

Formula
Ho3CdNi8
Alex-ID
agm003585387
Elements
3
Sites
12
Space group
R3m (#160)
Crystal system
trigonal
Volume
178.17
ų
Cell a
5.0055
Å
Cell b
5.0055
Å
Cell c
8.7048
Å
α angle
73.29
°
β angle
73.29
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3CdNi8
Ho
3.00 · 25.0%
Cd
1.00 · 8.3%
Ni
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4169
eV/atom
Corrected total energy
-65.9334
eV
Raw total energy
-65.9334
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9752
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_193_spg160

Decomposition

Ho3CdNi8

Computed at

2022-04-03 14:18:40.305782

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: agm003585387).

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 agm003585387
data_agm003585387
_cell_length_a     5.00552
_cell_length_b     5.00552
_cell_length_c     8.70483
_cell_angle_alpha  73.29082
_cell_angle_beta   73.29082
_cell_angle_gamma  60.00000
_cell_volume       178.16837
_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 0.37677 0.37677 0.86969 1.00000
  Ho2 Ho 0.99441 0.99441 0.01677 1.00000
  Ho3 Ho 0.50485 0.50485 0.48546 1.00000
  Cd1 Cd 0.87280 0.87280 0.38161 1.00000
  Ni1 Ni 0.94116 0.43633 0.18619 1.00000
  Ni2 Ni 0.43787 0.93703 0.68808 1.00000
  Ni3 Ni 0.43633 0.43633 0.18619 1.00000
  Ni4 Ni 0.93703 0.93703 0.68808 1.00000
  Ni5 Ni 0.18771 0.18771 0.43688 1.00000
  Ni6 Ni 0.68774 0.68774 0.93678 1.00000
  Ni7 Ni 0.43633 0.94116 0.18619 1.00000
  Ni8 Ni 0.93703 0.43787 0.68808 1.00000
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