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Ho2Co4Si3Mo

Alexandria ALEX

Alex-ID: agm040762450 · Space group: P-4m2 (#115)

Basic Information

Formula
Ho2Co4Si3Mo
Alex-ID
agm040762450
Elements
4
Sites
10
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
149.65
ų
Cell a
3.9330
Å
Cell b
3.9330
Å
Cell c
9.6747
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Co4Si3Mo
Ho
2.00 · 20.0%
Co
4.00 · 40.0%
Si
3.00 · 30.0%
Mo
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0040
eV/atom
Formation energy
-0.6511
eV/atom
Corrected total energy
-71.2637
eV
Raw total energy
-71.2637
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0215
eV
DOS at Fermi level
6.0026
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D4_64_spg21

Decomposition

Ho4Co9Si5 Ho(CoSi)2 HoCoSi Mo

Computed at

2025-03-07 12:37:03

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: agm040762450).

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 agm040762450
data_agm040762450
_cell_length_a     3.93300
_cell_length_b     3.93300
_cell_length_c     9.67472
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       149.65333
_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 0.50000 0.00000 0.24359 1.00000
  Ho2 Ho 0.00000 0.50000 0.75641 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.00000 1.00000
  Co3 Co 0.50000 0.00000 0.63646 1.00000
  Co4 Co 0.00000 0.50000 0.36354 1.00000
  Si1 Si 0.00000 0.00000 0.50000 1.00000
  Si2 Si 0.50000 0.00000 0.87450 1.00000
  Si3 Si 0.00000 0.50000 0.12550 1.00000
  Mo1 Mo 0.50000 0.50000 0.50000 1.00000
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