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Ho2Co2CuSi5

Alexandria ALEX

Alex-ID: agm030650971 · Space group: Ibam (#72)

Basic Information

Formula
Ho2Co2CuSi5
Alex-ID
agm030650971
Elements
4
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
303.83
ų
Cell a
7.8968
Å
Cell b
7.8968
Å
Cell c
5.6380
Å
α angle
69.15
°
β angle
69.15
°
γ angle
89.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Co2CuSi5
Ho
4.00 · 20.0%
Co
4.00 · 20.0%
Cu
2.00 · 10.0%
Si
10.00 · 50.0%

Energy & Stability

Energy above hull
0.0111
eV/atom
Formation energy
-0.6787
eV/atom
Corrected total energy
-122.9325
eV
Raw total energy
-122.9325
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0159
eV
DOS at Fermi level
6.4727
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Ho2Co3Si5 HoCoSi3 Ho(CuSi)2

Computed at

2024-10-02 05:49:08.715914

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: agm030650971).

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 agm030650971
data_agm030650971
_cell_length_a     7.89682
_cell_length_b     7.89682
_cell_length_c     5.63803
_cell_angle_alpha  69.14990
_cell_angle_beta   69.14990
_cell_angle_gamma  89.96317
_cell_volume       303.83180
_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 0.60820 0.86701 0.76262 1.00000
  Ho2 Ho 0.13299 0.39180 0.73738 1.00000
  Ho3 Ho 0.39180 0.13299 0.23738 1.00000
  Ho4 Ho 0.86701 0.60820 0.26262 1.00000
  Co1 Co 0.52120 0.25425 0.61356 1.00000
  Co2 Co 0.74575 0.47880 0.88644 1.00000
  Co3 Co 0.47880 0.74575 0.38644 1.00000
  Co4 Co 0.25425 0.52120 0.11356 1.00000
  Cu1 Cu 0.99964 0.00036 0.75000 1.00000
  Cu2 Cu 0.00036 0.99964 0.25000 1.00000
  Si1 Si 0.27282 0.04552 0.84001 1.00000
  Si2 Si 0.95448 0.72718 0.65999 1.00000
  Si3 Si 0.72718 0.95448 0.15999 1.00000
  Si4 Si 0.04552 0.27282 0.34001 1.00000
  Si5 Si 0.49913 0.50087 0.75000 1.00000
  Si6 Si 0.50087 0.49913 0.25000 1.00000
  Si7 Si 0.75907 0.24093 0.75000 1.00000
  Si8 Si 0.24093 0.75907 0.25000 1.00000
  Si9 Si 0.24181 0.75819 0.75000 1.00000
  Si10 Si 0.75819 0.24181 0.25000 1.00000
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