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Ho4Co3Si8

Alexandria ALEX

Alex-ID: agm008387017 · Space group: Pmm2 (#25)

Basic Information

Formula
Ho4Co3Si8
Alex-ID
agm008387017
Elements
3
Sites
15
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
251.79
ų
Cell a
4.0192
Å
Cell b
3.9458
Å
Cell c
15.8766
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Co3Si8
Ho
4.00 · 26.7%
Co
3.00 · 20.0%
Si
8.00 · 53.3%

Energy & Stability

Energy above hull
0.0225
eV/atom
Formation energy
-0.7289
eV/atom
Corrected total energy
-94.0028
eV
Raw total energy
-94.0028
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9532
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A3B4C8_34_spg25

Decomposition

Ho3Co3Si7 HoSi

Computed at

2024-12-09 17:12:53

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: agm008387017).

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 agm008387017
data_agm008387017
_cell_length_a     4.01925
_cell_length_b     3.94577
_cell_length_c     15.87663
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       251.78772
_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 0.50000 0.60800 1.00000
  Ho2 Ho 0.50000 0.50000 0.10275 1.00000
  Ho3 Ho 0.50000 0.00000 0.89115 1.00000
  Ho4 Ho 0.00000 0.00000 0.39541 1.00000
  Co1 Co 0.50000 0.50000 0.32208 1.00000
  Co2 Co 0.50000 0.00000 0.69082 1.00000
  Co3 Co 0.00000 0.00000 0.17541 1.00000
  Si1 Si 0.00000 0.50000 0.94297 1.00000
  Si2 Si 0.50000 0.50000 0.46205 1.00000
  Si3 Si 0.50000 0.00000 0.54956 1.00000
  Si4 Si 0.00000 0.00000 0.03560 1.00000
  Si5 Si 0.50000 0.50000 0.75588 1.00000
  Si6 Si 0.00000 0.50000 0.24954 1.00000
  Si7 Si 0.00000 0.00000 0.75600 1.00000
  Si8 Si 0.50000 0.00000 0.24809 1.00000
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