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Dy4ZnCo2

Alexandria ALEX

Alex-ID: agm096284651 · Space group: P2/m (#10)

Basic Information

Formula
Dy4ZnCo2
Alex-ID
agm096284651
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
166.57
ų
Cell a
4.1403
Å
Cell b
5.1754
Å
Cell c
7.7841
Å
α angle
92.97
°
β angle
90.02
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4ZnCo2
Dy
4.00 · 57.1%
Zn
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1735
eV/atom
Formation energy
-0.0680
eV/atom
Corrected total energy
-34.4171
eV
Raw total energy
-34.4170
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0183
eV
DOS at Fermi level
4.5264
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_179_spg10

Decomposition

Dy4ZnCo Dy2ZnCo2 Dy5Co2

Computed at

2025-04-10 16:47:31

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: agm096284651).

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 agm096284651
data_agm096284651
_cell_length_a     4.14030
_cell_length_b     5.17538
_cell_length_c     7.78409
_cell_angle_alpha  92.97161
_cell_angle_beta   90.02196
_cell_angle_gamma  89.98465
_cell_volume       166.57024
_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 0.49988 0.79724 0.81149 1.00000
  Dy2 Dy 0.00026 0.74908 0.35178 1.00000
  Dy3 Dy 0.99974 0.25092 0.64822 1.00000
  Dy4 Dy 0.50012 0.20276 0.18851 1.00000
  Zn1 Zn 0.00000 0.50000 0.00000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
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