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YHo5Cd

Alexandria ALEX

Alex-ID: agm003759072 · Space group: Imma (#74)

Basic Information

Formula
YHo5Cd
Alex-ID
agm003759072
Elements
3
Sites
14
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
423.79
ų
Cell a
9.0490
Å
Cell b
9.0490
Å
Cell c
5.7593
Å
α angle
71.59
°
β angle
71.59
°
γ angle
81.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo5Cd
Y
2.00 · 14.3%
Ho
10.00 · 71.4%
Cd
2.00 · 14.3%

Energy & Stability

Energy above hull
0.1687
eV/atom
Formation energy
0.0666
eV/atom
Corrected total energy
-59.6261
eV
Raw total energy
-59.6261
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
22.4785
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC5_501_spg15

Decomposition

YHoCd Ho

Computed at

2022-04-19 21:24:34.549344

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: agm003759072).

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 agm003759072
data_agm003759072
_cell_length_a     9.04896
_cell_length_b     9.04896
_cell_length_c     5.75931
_cell_angle_alpha  71.58632
_cell_angle_beta   71.58632
_cell_angle_gamma  81.19398
_cell_volume       423.79415
_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
  Y1 Y 0.44258 0.55742 0.25000 1.00000
  Y2 Y 0.55742 0.44258 0.75000 1.00000
  Ho1 Ho 0.83735 0.63182 0.01407 1.00000
  Ho2 Ho 0.33421 0.93473 0.11644 1.00000
  Ho3 Ho 0.63182 0.83735 0.51407 1.00000
  Ho4 Ho 0.74925 0.25075 0.25000 1.00000
  Ho5 Ho 0.06527 0.66579 0.38356 1.00000
  Ho6 Ho 0.93473 0.33421 0.61644 1.00000
  Ho7 Ho 0.25075 0.74925 0.75000 1.00000
  Ho8 Ho 0.36818 0.16265 0.48593 1.00000
  Ho9 Ho 0.66579 0.06527 0.88356 1.00000
  Ho10 Ho 0.16265 0.36818 0.98593 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Cd2 Cd 0.00000 0.00000 0.50000 1.00000
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