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Ho2Zn2Co15

Alexandria ALEX

Alex-ID: agm008889596 · Space group: Cm (#8)

Basic Information

Formula
Ho2Zn2Co15
Alex-ID
agm008889596
Elements
3
Sites
19
Space group
Cm (#8)
Crystal system
monoclinic
Volume
244.93
ų
Cell a
6.2964
Å
Cell b
6.2964
Å
Cell c
6.3038
Å
α angle
83.13
°
β angle
83.13
°
γ angle
83.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Zn2Co15
Ho
2.00 · 10.5%
Zn
2.00 · 10.5%
Co
15.00 · 78.9%

Energy & Stability

Energy above hull
0.0102
eV/atom
Formation energy
-0.0992
eV/atom
Corrected total energy
-120.4541
eV
Raw total energy
-120.4541
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
20.3938
Total magnetisation
20.7258
μB

Additional Information

Prototype ID

A2B2C15_58_spg8

Decomposition

Ho2Co17 HoZn3 Co

Computed at

2024-05-11 01:24:30.564631

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: agm008889596).

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 agm008889596
data_agm008889596
_cell_length_a     6.29645
_cell_length_b     6.29645
_cell_length_c     6.30381
_cell_angle_alpha  83.13494
_cell_angle_beta   83.13494
_cell_angle_gamma  83.11406
_cell_volume       244.92734
_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 0.33864 0.33864 0.33665 1.00000
  Ho2 Ho 0.65946 0.65946 0.65268 1.00000
  Zn1 Zn 0.64827 0.15201 0.64858 1.00000
  Zn2 Zn 0.15201 0.64827 0.64858 1.00000
  Co1 Co 0.00291 0.71744 0.27868 1.00000
  Co2 Co 0.70312 0.29936 0.00412 1.00000
  Co3 Co 0.28150 0.99704 0.71989 1.00000
  Co4 Co 0.29936 0.70312 0.00412 1.00000
  Co5 Co 0.71744 0.00291 0.27868 1.00000
  Co6 Co 0.99704 0.28150 0.71989 1.00000
  Co7 Co 0.49614 0.00138 0.00455 1.00000
  Co8 Co 0.00420 0.00420 0.49481 1.00000
  Co9 Co 0.00138 0.49614 0.00455 1.00000
  Co10 Co 0.09511 0.09511 0.09615 1.00000
  Co11 Co 0.89935 0.89935 0.91438 1.00000
  Co12 Co 0.65560 0.65560 0.15012 1.00000
  Co13 Co 0.34888 0.85861 0.34207 1.00000
  Co14 Co 0.85861 0.34888 0.34207 1.00000
  Co15 Co 0.34096 0.34096 0.85930 1.00000
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