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Ho2CdNi2

Alexandria ALEX

Alex-ID: agm002294751 · Space group: Immm (#71)

Basic Information

Formula
Ho2CdNi2
Alex-ID
agm002294751
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
98.46
ų
Cell a
4.3945
Å
Cell b
5.3444
Å
Cell c
5.3444
Å
α angle
63.69
°
β angle
65.72
°
γ angle
65.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2CdNi2
Ni
2.00 · 40.0%
Ho
2.00 · 40.0%
Cd
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0463
eV/atom
Formation energy
-0.4128
eV/atom
Corrected total energy
-23.7125
eV
Raw total energy
-23.7125
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0649
eV
DOS at Fermi level
3.4313
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_2_spg71

Decomposition

Ho2CdNi2

Computed at

2018-09-30 00:17:47

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: agm002294751).

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 agm002294751
data_agm002294751
_cell_length_a     4.39447
_cell_length_b     5.34440
_cell_length_c     5.34440
_cell_angle_alpha  63.69058
_cell_angle_beta   65.72428
_cell_angle_gamma  65.72428
_cell_volume       98.46019
_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
  Ni1 Ni 0.50000 0.29021 0.70979 1.00000
  Ni2 Ni 0.50000 0.70979 0.29021 1.00000
  Ho1 Ho 0.79221 0.70779 0.70779 1.00000
  Ho2 Ho 0.20779 0.29221 0.29221 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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