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K2Ho(CdIn)2

Alexandria ALEX

Alex-ID: agm023237656 · Space group: R-3m (#166)

Basic Information

Formula
K2Ho(CdIn)2
Alex-ID
agm023237656
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
258.93
ų
Cell a
12.3091
Å
Cell b
12.3091
Å
Cell c
12.3091
Å
α angle
23.43
°
β angle
23.43
°
γ angle
23.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K2Ho(CdIn)2
K
2.00 · 28.6%
Ho
1.00 · 14.3%
Cd
2.00 · 28.6%
In
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0127
eV/atom
Formation energy
-0.2124
eV/atom
Corrected total energy
-15.6559
eV
Raw total energy
-15.6559
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4582
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

K2Cd3 HoCdIn2 K

Computed at

2025-06-22 17:01:19

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: agm023237656).

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 agm023237656
data_agm023237656
_cell_length_a     12.30907
_cell_length_b     12.30907
_cell_length_c     12.30907
_cell_angle_alpha  23.43027
_cell_angle_beta   23.43027
_cell_angle_gamma  23.43027
_cell_volume       258.92756
_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
  K1 K 0.88750 0.88750 0.88750 1.00000
  K2 K 0.11250 0.11250 0.11250 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.37725 0.37725 0.37725 1.00000
  Cd2 Cd 0.62275 0.62275 0.62275 1.00000
  In1 In 0.28802 0.28802 0.28802 1.00000
  In2 In 0.71198 0.71198 0.71198 1.00000
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