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Ho8ZnNi2

Alexandria ALEX

Alex-ID: agm006019342 · Space group: C2/m (#12)

Basic Information

Formula
Ho8ZnNi2
Alex-ID
agm006019342
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
285.51
ų
Cell a
5.3914
Å
Cell b
7.7565
Å
Cell c
7.7565
Å
α angle
114.53
°
β angle
97.86
°
γ angle
97.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8ZnNi2
Ho
8.00 · 72.7%
Zn
1.00 · 9.1%
Ni
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1442
eV/atom
Formation energy
-0.1057
eV/atom
Corrected total energy
-50.6364
eV
Raw total energy
-50.6364
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0345
eV
DOS at Fermi level
14.3174
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

Ho2Zn Ho3Ni

Computed at

2023-09-27 21:34:21

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: agm006019342).

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 agm006019342
data_agm006019342
_cell_length_a     5.39145
_cell_length_b     7.75646
_cell_length_c     7.75646
_cell_angle_alpha  114.52880
_cell_angle_beta   97.85524
_cell_angle_gamma  97.85524
_cell_volume       285.51073
_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 0.58459 0.33672 0.07906 1.00000
  Ho2 Ho 0.58459 0.07906 0.33672 1.00000
  Ho3 Ho 0.19108 0.38426 0.38426 1.00000
  Ho4 Ho 0.99988 0.24323 0.76256 1.00000
  Ho5 Ho 0.99988 0.76256 0.24323 1.00000
  Ho6 Ho 0.80804 0.62159 0.62159 1.00000
  Ho7 Ho 0.41465 0.92721 0.66956 1.00000
  Ho8 Ho 0.41465 0.66956 0.92721 1.00000
  Zn1 Zn 0.00167 0.00268 0.00268 1.00000
  Ni1 Ni 0.50031 0.69902 0.30804 1.00000
  Ni2 Ni 0.50031 0.30804 0.69902 1.00000
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