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Ho6Co8Mo

Alexandria ALEX

Alex-ID: agm072926201 · Space group: P-1 (#2)

Basic Information

Formula
Ho6Co8Mo
Alex-ID
agm072926201
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
274.37
ų
Cell a
5.4614
Å
Cell b
6.8984
Å
Cell c
7.7053
Å
α angle
106.49
°
β angle
98.43
°
γ angle
92.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Co8Mo
Ho
6.00 · 40.0%
Co
8.00 · 53.3%
Mo
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0692
eV/atom
Formation energy
-0.1324
eV/atom
Corrected total energy
-97.2787
eV
Raw total energy
-97.2787
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
15.5917
Total magnetisation
2.8145
μB

Additional Information

Prototype ID

AB6C8_78_spg147

Decomposition

HoCo2 HoCo Mo

Computed at

2024-10-05 20:51:48.699069

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: agm072926201).

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 agm072926201
data_agm072926201
_cell_length_a     5.46140
_cell_length_b     6.89841
_cell_length_c     7.70525
_cell_angle_alpha  106.48556
_cell_angle_beta   98.42736
_cell_angle_gamma  92.22001
_cell_volume       274.36669
_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 0.21842 0.56146 0.89465 1.00000
  Ho2 Ho 0.54718 0.96536 0.22929 1.00000
  Ho3 Ho 0.90504 0.75293 0.55536 1.00000
  Ho4 Ho 0.78158 0.43854 0.10535 1.00000
  Ho5 Ho 0.45282 0.03464 0.77071 1.00000
  Ho6 Ho 0.09496 0.24707 0.44464 1.00000
  Co1 Co 0.03828 0.82532 0.22122 1.00000
  Co2 Co 0.96172 0.17468 0.77878 1.00000
  Co3 Co 0.42643 0.62146 0.61322 1.00000
  Co4 Co 0.28463 0.28690 0.10936 1.00000
  Co5 Co 0.29980 0.61778 0.31463 1.00000
  Co6 Co 0.57357 0.37854 0.38678 1.00000
  Co7 Co 0.71537 0.71310 0.89064 1.00000
  Co8 Co 0.70020 0.38222 0.68537 1.00000
  Mo1 Mo 0.00000 0.00000 0.00000 1.00000
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