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Dy2HoCo2

Alexandria ALEX

Alex-ID: agm005913435 · Space group: C2/m (#12)

Basic Information

Formula
Dy2HoCo2
Alex-ID
agm005913435
Elements
3
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
109.62
ų
Cell a
3.8722
Å
Cell b
5.9929
Å
Cell c
5.7961
Å
α angle
61.94
°
β angle
70.49
°
γ angle
71.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2HoCo2
Dy
2.00 · 40.0%
Ho
1.00 · 20.0%
Co
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0396
eV/atom
Formation energy
-0.1547
eV/atom
Corrected total energy
-28.8069
eV
Raw total energy
-28.8069
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1897
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_47_spg71

Decomposition

Dy5Co2 HoCo DyCo

Computed at

2023-08-03 13:57:50.525077

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: agm005913435).

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 agm005913435
data_agm005913435
_cell_length_a     3.87222
_cell_length_b     5.99287
_cell_length_c     5.79606
_cell_angle_alpha  61.93723
_cell_angle_beta   70.48590
_cell_angle_gamma  71.15135
_cell_volume       109.62258
_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
  Dy1 Dy 0.69255 0.81601 0.29888 1.00000
  Dy2 Dy 0.30745 0.18399 0.70112 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Co1 Co 0.01819 0.16994 0.29369 1.00000
  Co2 Co 0.98181 0.83006 0.70631 1.00000
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