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Ho(Cd3In)2

Alexandria ALEX

Alex-ID: agm005690727 · Space group: C2/m (#12)

Basic Information

Formula
Ho(Cd3In)2
Alex-ID
agm005690727
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
219.29
ų
Cell a
4.7937
Å
Cell b
6.6018
Å
Cell c
8.1828
Å
α angle
66.21
°
β angle
81.21
°
γ angle
67.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Cd3In)2
Ho
1.00 · 11.1%
Cd
6.00 · 66.7%
In
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0727
eV/atom
Formation energy
-0.0855
eV/atom
Corrected total energy
-16.4288
eV
Raw total energy
-16.4288
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.1374
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1409_spg12

Decomposition

HoCdIn2 Cd

Computed at

2023-07-06 16:48:26.959580

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: agm005690727).

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 agm005690727
data_agm005690727
_cell_length_a     4.79372
_cell_length_b     6.60176
_cell_length_c     8.18275
_cell_angle_alpha  66.20944
_cell_angle_beta   81.20830
_cell_angle_gamma  67.73496
_cell_volume       219.28760
_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 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.17992 0.83793 0.66665 1.00000
  Cd2 Cd 0.82008 0.16207 0.33335 1.00000
  Cd3 Cd 0.31780 0.36337 0.00000 1.00000
  Cd4 Cd 0.17992 0.50459 0.33335 1.00000
  Cd5 Cd 0.82008 0.49541 0.66665 1.00000
  Cd6 Cd 0.68220 0.63663 1.00000 1.00000
  In1 In 0.50000 0.84818 0.30364 1.00000
  In2 In 0.50000 0.15182 0.69636 1.00000
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