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Ho16Cd3GaNi4

Alexandria ALEX

Alex-ID: agm020719266 · Space group: R3m (#160)

Alexandria Database API

Basic Information

Formula
Ho16Cd3GaNi4
Alex-ID
agm020719266
Elements
4
Sites
24
Space group
R3m (#160)
Crystal system
trigonal
Volume
601.37
ų
Cell a
9.4713
Å
Cell b
9.4713
Å
Cell c
9.4713
Å
α angle
60.04
°
β angle
60.04
°
γ angle
60.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho16Cd3GaNi4
Ho
16.00 · 66.7%
Cd
3.00 · 12.5%
Ga
1.00 · 4.2%
Ni
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0041
eV/atom
Formation energy
-0.3220
eV/atom
Corrected total energy
-109.9204
eV
Raw total energy
-109.9204
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
24.8038
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4D16_19_spg160

Decomposition

Ho6GaNi2 Ho3Ni Ho3Ga2 Ho4CdNi

Computed at

2024-09-14 03:45:26.893068

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: agm020719266).

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 agm020719266
data_agm020719266
_cell_length_a     9.47131
_cell_length_b     9.47131
_cell_length_c     9.47131
_cell_angle_alpha  60.04346
_cell_angle_beta   60.04346
_cell_angle_gamma  60.04346
_cell_volume       601.37224
_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 0.06672 0.43568 0.43568 1.00000
  Ho2 Ho 0.43568 0.06672 0.43568 1.00000
  Ho3 Ho 0.43568 0.43568 0.06672 1.00000
  Ho4 Ho 0.43625 0.06357 0.06357 1.00000
  Ho5 Ho 0.06357 0.43625 0.06357 1.00000
  Ho6 Ho 0.06357 0.06357 0.43625 1.00000
  Ho7 Ho 0.18843 0.81193 0.81193 1.00000
  Ho8 Ho 0.81193 0.18843 0.81193 1.00000
  Ho9 Ho 0.81193 0.81193 0.18843 1.00000
  Ho10 Ho 0.80872 0.19059 0.19059 1.00000
  Ho11 Ho 0.19059 0.80872 0.19059 1.00000
  Ho12 Ho 0.19059 0.19059 0.80872 1.00000
  Ho13 Ho 0.65187 0.65187 0.65187 1.00000
  Ho14 Ho 0.64922 0.64922 0.04988 1.00000
  Ho15 Ho 0.64922 0.04988 0.64922 1.00000
  Ho16 Ho 0.04988 0.64922 0.64922 1.00000
  Cd1 Cd 0.41904 0.41904 0.74136 1.00000
  Cd2 Cd 0.41904 0.74136 0.41904 1.00000
  Cd3 Cd 0.74136 0.41904 0.41904 1.00000
  Ga1 Ga 0.41531 0.41531 0.41531 1.00000
  Ni1 Ni 0.85699 0.85699 0.85699 1.00000
  Ni2 Ni 0.85828 0.85828 0.42785 1.00000
  Ni3 Ni 0.85828 0.42785 0.85828 1.00000
  Ni4 Ni 0.42785 0.85828 0.85828 1.00000
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