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HEAS Data Platform · Materials Science Database

Ho5Co19B6

Alexandria ALEX

Alex-ID: agm008216319 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
Ho5Co19B6
Alex-ID
agm008216319
Elements
3
Sites
30
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
358.60
ų
Cell a
4.9966
Å
Cell b
4.9966
Å
Cell c
16.5852
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Co19B6
Ho
5.00 · 16.7%
Co
19.00 · 63.3%
B
6.00 · 20.0%

Energy & Stability

Energy above hull
0.0068
eV/atom
Formation energy
-0.3420
eV/atom
Corrected total energy
-208.5699
eV
Raw total energy
-208.5699
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
34.0263
Total magnetisation
13.4506
μB

Additional Information

Prototype ID

A5B6C19_0_spg191

Decomposition

Ho2Co17 HoCo3B2 HoCo3

Computed at

2025-02-22 14:48:09

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: agm008216319).

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 agm008216319
data_agm008216319
_cell_length_a     4.99663
_cell_length_b     4.99663
_cell_length_c     16.58520
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       358.59570
_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 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.00000 0.29549 1.00000
  Ho3 Ho 0.00000 0.00000 0.70451 1.00000
  Ho4 Ho 0.00000 0.00000 0.09328 1.00000
  Ho5 Ho 0.00000 0.00000 0.90672 1.00000
  Co1 Co 0.50000 0.00000 0.41286 1.00000
  Co2 Co 0.50000 0.50000 0.41286 1.00000
  Co3 Co 0.00000 0.50000 0.41286 1.00000
  Co4 Co 0.50000 0.00000 0.58714 1.00000
  Co5 Co 0.50000 0.50000 0.58714 1.00000
  Co6 Co 0.00000 0.50000 0.58714 1.00000
  Co7 Co 0.33333 0.66667 0.29454 1.00000
  Co8 Co 0.66667 0.33333 0.29454 1.00000
  Co9 Co 0.66667 0.33333 0.70546 1.00000
  Co10 Co 0.33333 0.66667 0.70546 1.00000
  Co11 Co 0.50000 0.00000 0.17560 1.00000
  Co12 Co 0.50000 0.50000 0.17560 1.00000
  Co13 Co 0.00000 0.50000 0.17560 1.00000
  Co14 Co 0.50000 0.00000 0.82440 1.00000
  Co15 Co 0.50000 0.50000 0.82440 1.00000
  Co16 Co 0.00000 0.50000 0.82440 1.00000
  Co17 Co 0.50000 0.00000 0.00000 1.00000
  Co18 Co 0.50000 0.50000 0.00000 1.00000
  Co19 Co 0.00000 0.50000 0.00000 1.00000
  B1 B 0.33333 0.66667 0.50000 1.00000
  B2 B 0.66667 0.33333 0.50000 1.00000
  B3 B 0.33333 0.66667 0.08855 1.00000
  B4 B 0.66667 0.33333 0.08855 1.00000
  B5 B 0.66667 0.33333 0.91145 1.00000
  B6 B 0.33333 0.66667 0.91145 1.00000
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