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Ho6CuSb2

Alexandria ALEX

Alex-ID: agm002208763 · Space group: P-62m (#189)

Basic Information

Formula
Ho6CuSb2
Alex-ID
agm002208763
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
241.35
ų
Cell a
4.0459
Å
Cell b
8.2995
Å
Cell c
8.2995
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6CuSb2
Sb
2.00 · 22.2%
Ho
6.00 · 66.7%
Cu
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0352
eV/atom
Formation energy
-0.5553
eV/atom
Corrected total energy
-44.8735
eV
Raw total energy
-44.8735
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.6093
Total magnetisation
1.8502
μB

Additional Information

Prototype ID

AB2C6_1_spg189

Decomposition

Ho5Sb3 HoCu Ho

Computed at

2018-07-06 23:04:54

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: agm002208763).

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 agm002208763
data_agm002208763
_cell_length_a     4.04595
_cell_length_b     8.29948
_cell_length_c     8.29948
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       241.35313
_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
  Sb1 Sb 0.50000 0.66667 0.33333 1.00000
  Sb2 Sb 0.50000 0.33333 0.66667 1.00000
  Ho1 Ho 0.50000 0.24476 0.24476 1.00000
  Ho2 Ho 0.50000 0.75524 0.00000 1.00000
  Ho3 Ho 0.50000 0.00000 0.75524 1.00000
  Ho4 Ho 0.00000 1.00000 0.40275 1.00000
  Ho5 Ho 0.00000 0.40275 1.00000 1.00000
  Ho6 Ho 0.00000 0.59725 0.59725 1.00000
  Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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