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Ho8CoAg2

Alexandria ALEX

Alex-ID: agm006019088 · Space group: Cm (#8)

Basic Information

Formula
Ho8CoAg2
Alex-ID
agm006019088
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
295.27
ų
Cell a
5.9647
Å
Cell b
8.7011
Å
Cell c
8.7011
Å
α angle
129.42
°
β angle
103.15
°
γ angle
103.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8CoAg2
Ho
8.00 · 72.7%
Co
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0842
eV/atom
Formation energy
-0.1060
eV/atom
Corrected total energy
-50.6209
eV
Raw total energy
-50.6209
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.1537
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C8_1048_spg8

Decomposition

Ho4CoAg Ho HoAg

Computed at

2023-09-26 10:35:42

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: agm006019088).

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 agm006019088
data_agm006019088
_cell_length_a     5.96466
_cell_length_b     8.70115
_cell_length_c     8.70115
_cell_angle_alpha  129.42083
_cell_angle_beta   103.14988
_cell_angle_gamma  103.14987
_cell_volume       295.26769
_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 0.64920 0.37872 0.15289 1.00000
  Ho2 Ho 0.64920 0.15289 0.37872 1.00000
  Ho3 Ho 0.14720 0.27607 0.27607 1.00000
  Ho4 Ho 0.98320 0.19840 0.80753 1.00000
  Ho5 Ho 0.98320 0.80753 0.19840 1.00000
  Ho6 Ho 0.77485 0.73756 0.73756 1.00000
  Ho7 Ho 0.28391 0.84296 0.62061 1.00000
  Ho8 Ho 0.28391 0.62061 0.84296 1.00000
  Co1 Co 0.27788 0.00490 0.00490 1.00000
  Ag1 Ag 0.48357 0.72338 0.29093 1.00000
  Ag2 Ag 0.48357 0.29093 0.72338 1.00000
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