Navigation

HEAS Data Platform · Materials Science Database

Ho12Co7

Alexandria ALEX

Alex-ID: agm003245331 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho12Co7
Alex-ID
agm003245331
Elements
2
Sites
38
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
825.08
ų
Cell a
11.1720
Å
Cell b
8.2470
Å
Cell c
10.9640
Å
α angle
54.76
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Co7
Ho
24.00 · 63.2%
Co
14.00 · 36.8%

Energy & Stability

Energy above hull
0.0077
eV/atom
Formation energy
-0.1908
eV/atom
Corrected total energy
-216.8684
eV
Raw total energy
-216.8684
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
30.7496
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A7B12_5_spg14

Decomposition

Ho5Co2 HoCo

Computed at

2021-12-31 14:26:46.907470

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: agm003245331).

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 agm003245331
data_agm003245331
_cell_length_a     11.17204
_cell_length_b     8.24704
_cell_length_c     10.96398
_cell_angle_alpha  54.76264
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       825.08317
_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 0.70579 0.23564 0.53865 1.00000
  Ho2 Ho 0.20579 0.76436 0.96135 1.00000
  Ho3 Ho 0.84075 0.50331 0.65809 1.00000
  Ho4 Ho 0.34075 0.49669 0.84191 1.00000
  Ho5 Ho 0.15925 0.49669 0.34191 1.00000
  Ho6 Ho 0.65925 0.50331 0.15809 1.00000
  Ho7 Ho 0.00298 0.84246 0.35472 1.00000
  Ho8 Ho 0.50298 0.15754 0.14528 1.00000
  Ho9 Ho 0.99702 0.15754 0.64528 1.00000
  Ho10 Ho 0.49702 0.84246 0.85472 1.00000
  Ho11 Ho 0.79421 0.23564 0.03865 1.00000
  Ho12 Ho 0.29421 0.76436 0.46135 1.00000
  Ho13 Ho 0.92937 0.76799 0.08630 1.00000
  Ho14 Ho 0.42937 0.23201 0.41370 1.00000
  Ho15 Ho 0.07063 0.23201 0.91370 1.00000
  Ho16 Ho 0.57063 0.76799 0.58630 1.00000
  Ho17 Ho 0.30118 0.24787 0.67674 1.00000
  Ho18 Ho 0.80118 0.75213 0.82326 1.00000
  Ho19 Ho 0.69882 0.75213 0.32326 1.00000
  Ho20 Ho 0.19882 0.24787 0.17674 1.00000
  Ho21 Ho 0.92953 0.26371 0.30769 1.00000
  Ho22 Ho 0.42953 0.73629 0.19231 1.00000
  Ho23 Ho 0.07047 0.73629 0.69231 1.00000
  Ho24 Ho 0.57047 0.26371 0.80769 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Co3 Co 0.67883 0.90802 0.02518 1.00000
  Co4 Co 0.17883 0.09198 0.47482 1.00000
  Co5 Co 0.32117 0.09198 0.97482 1.00000
  Co6 Co 0.82117 0.90802 0.52518 1.00000
  Co7 Co 0.40011 0.49462 0.10021 1.00000
  Co8 Co 0.90011 0.50538 0.39979 1.00000
  Co9 Co 0.59989 0.50538 0.89979 1.00000
  Co10 Co 0.09989 0.49462 0.60021 1.00000
  Co11 Co 0.81468 0.10108 0.84077 1.00000
  Co12 Co 0.31468 0.89892 0.65923 1.00000
  Co13 Co 0.18532 0.89892 0.15923 1.00000
  Co14 Co 0.68532 0.10108 0.34077 1.00000
Get direct link