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Ho2(ZnCo)5

Alexandria ALEX

Alex-ID: agm005658934 · Space group: Pmmm (#47)

Basic Information

Formula
Ho2(ZnCo)5
Alex-ID
agm005658934
Elements
3
Sites
12
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
180.63
ų
Cell a
4.0512
Å
Cell b
5.0231
Å
Cell c
8.8764
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2(ZnCo)5
Ho
2.00 · 16.7%
Zn
5.00 · 41.7%
Co
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0535
eV/atom
Formation energy
-0.1648
eV/atom
Corrected total energy
-53.1445
eV
Raw total energy
-53.1445
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
10.6886
Total magnetisation
4.8437
μB

Additional Information

Prototype ID

A2B5C5_3_spg47

Decomposition

Ho2Co17 HoZn3 Co

Computed at

2023-06-18 21:55:31.752668

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: agm005658934).

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 agm005658934
data_agm005658934
_cell_length_a     4.05121
_cell_length_b     5.02314
_cell_length_c     8.87639
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       180.63227
_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 0.00000 0.50000 0.00000 1.00000
  Ho2 Ho 0.00000 0.00000 0.50000 1.00000
  Zn1 Zn 0.00000 0.50000 0.33132 1.00000
  Zn2 Zn 0.00000 0.00000 0.82373 1.00000
  Zn3 Zn 0.00000 0.00000 0.17627 1.00000
  Zn4 Zn 0.00000 0.50000 0.66868 1.00000
  Zn5 Zn 0.50000 0.00000 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.50000 0.75386 0.25962 1.00000
  Co3 Co 0.50000 0.24614 0.74038 1.00000
  Co4 Co 0.50000 0.24614 0.25962 1.00000
  Co5 Co 0.50000 0.75386 0.74038 1.00000
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