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Ho4ErNi2

Alexandria ALEX

Alex-ID: agm003464355 · Space group: R-3m (#166)

Basic Information

Formula
Ho4ErNi2
Alex-ID
agm003464355
Elements
3
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
188.19
ų
Cell a
3.8944
Å
Cell b
3.8944
Å
Cell c
14.5035
Å
α angle
82.28
°
β angle
82.28
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4ErNi2
Ho
4.00 · 57.1%
Er
1.00 · 14.3%
Ni
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1554
eV/atom
Formation energy
-0.1354
eV/atom
Corrected total energy
-35.3925
eV
Raw total energy
-35.3925
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2857
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_914_spg166

Decomposition

HoEr2Ni Ho3Ni ErNi

Computed at

2022-02-18 05:24:25.432203

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: agm003464355).

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 agm003464355
data_agm003464355
_cell_length_a     3.89437
_cell_length_b     3.89437
_cell_length_c     14.50354
_cell_angle_alpha  82.28440
_cell_angle_beta   82.28440
_cell_angle_gamma  60.00000
_cell_volume       188.19031
_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 0.70020 0.70020 0.89939 1.00000
  Ho2 Ho 0.89825 0.89825 0.30526 1.00000
  Ho3 Ho 0.29980 0.29980 0.10061 1.00000
  Ho4 Ho 0.10175 0.10175 0.69474 1.00000
  Er1 Er 0.50000 0.50000 0.50000 1.00000
  Ni1 Ni 0.59925 0.59925 0.20226 1.00000
  Ni2 Ni 0.40075 0.40075 0.79774 1.00000
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