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Ho5In2Co

Alexandria ALEX

Alex-ID: agm005977858 · Space group: Pbam (#55)

Basic Information

Formula
Ho5In2Co
Alex-ID
agm005977858
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
415.73
ų
Cell a
4.8104
Å
Cell b
7.0339
Å
Cell c
12.2865
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5In2Co
Ho
10.00 · 62.5%
In
4.00 · 25.0%
Co
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0577
eV/atom
Formation energy
-0.2922
eV/atom
Corrected total energy
-75.7865
eV
Raw total energy
-75.7865
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0274
eV
DOS at Fermi level
13.5440
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_138_spg55

Decomposition

Ho8In3Co Ho4InCo Ho11In9Co4

Computed at

2023-08-24 07:00:59

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: agm005977858).

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 agm005977858
data_agm005977858
_cell_length_a     4.81045
_cell_length_b     7.03390
_cell_length_c     12.28648
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       415.72793
_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 0.32282 0.08065 1.00000
  Ho2 Ho 0.50000 0.67718 0.91935 1.00000
  Ho3 Ho 0.50000 0.82282 0.41935 1.00000
  Ho4 Ho 0.50000 0.17718 0.58065 1.00000
  Ho5 Ho 0.00000 0.88346 0.70634 1.00000
  Ho6 Ho 0.00000 0.11654 0.29366 1.00000
  Ho7 Ho 0.00000 0.38346 0.79366 1.00000
  Ho8 Ho 0.00000 0.61654 0.20634 1.00000
  Ho9 Ho 0.00000 0.50000 0.50000 1.00000
  Ho10 Ho 0.00000 0.00000 0.00000 1.00000
  In1 In 0.50000 0.39555 0.33863 1.00000
  In2 In 0.50000 0.60445 0.66137 1.00000
  In3 In 0.50000 0.10445 0.83863 1.00000
  In4 In 0.50000 0.89555 0.16137 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
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