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Ho4CuSb2

Alexandria ALEX

Alex-ID: agm003447553 · Space group: C2/m (#12)

Basic Information

Formula
Ho4CuSb2
Alex-ID
agm003447553
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
205.69
ų
Cell a
4.1992
Å
Cell b
7.2944
Å
Cell c
7.9179
Å
α angle
117.30
°
β angle
105.38
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4CuSb2
Ho
4.00 · 57.1%
Cu
1.00 · 14.3%
Sb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2475
eV/atom
Formation energy
-0.4999
eV/atom
Corrected total energy
-34.2180
eV
Raw total energy
-34.2180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6654
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C4_414_spg12

Decomposition

Ho5Sb3 HoCu2 HoCu

Computed at

2022-02-17 04:35:31.246575

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: agm003447553).

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 agm003447553
data_agm003447553
_cell_length_a     4.19920
_cell_length_b     7.29440
_cell_length_c     7.91794
_cell_angle_alpha  117.30233
_cell_angle_beta   105.37707
_cell_angle_gamma  90.00000
_cell_volume       205.69384
_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 0.88650 0.22122 0.77300 1.00000
  Ho2 Ho 0.11350 0.77878 0.22700 1.00000
  Ho3 Ho 0.61229 0.28335 0.22457 1.00000
  Ho4 Ho 0.38771 0.71665 0.77543 1.00000
  Cu1 Cu 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.74945 0.75177 0.49891 1.00000
  Sb2 Sb 0.25055 0.24823 0.50109 1.00000
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