Navigation

HEAS Data Platform · Materials Science Database

Ho6InCo

Alexandria ALEX

Alex-ID: agm003769167 · Space group: C2/m (#12)

Basic Information

Formula
Ho6InCo
Alex-ID
agm003769167
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
232.63
ų
Cell a
6.3059
Å
Cell b
6.3059
Å
Cell c
6.1973
Å
α angle
99.44
°
β angle
99.44
°
γ angle
102.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6InCo
Ho
6.00 · 75.0%
In
1.00 · 12.5%
Co
1.00 · 12.5%

Energy & Stability

Energy above hull
0.2107
eV/atom
Formation energy
-0.0317
eV/atom
Corrected total energy
-37.6183
eV
Raw total energy
-37.6183
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0209
eV
DOS at Fermi level
10.6100
Total magnetisation
-0.0025
μB

Additional Information

Prototype ID

ABC6_31_spg12

Decomposition

Ho14(InCo)3 Ho

Computed at

2022-04-20 00:25:42.688690

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: agm003769167).

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 agm003769167
data_agm003769167
_cell_length_a     6.30593
_cell_length_b     6.30593
_cell_length_c     6.19733
_cell_angle_alpha  99.44215
_cell_angle_beta   99.44215
_cell_angle_gamma  102.08357
_cell_volume       232.62793
_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 0.21634 0.21634 0.61542 1.00000
  Ho2 Ho 0.57878 0.20488 0.21280 1.00000
  Ho3 Ho 0.78366 0.78366 0.38458 1.00000
  Ho4 Ho 0.79512 0.42122 0.78720 1.00000
  Ho5 Ho 0.42122 0.79512 0.78720 1.00000
  Ho6 Ho 0.20488 0.57878 0.21280 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
Get direct link