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Dy2ZnFe2Co5

Alexandria ALEX

Alex-ID: agm005142120 · Space group: P4/mbm (#127)

Basic Information

Formula
Dy2ZnFe2Co5
Alex-ID
agm005142120
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
291.37
ų
Cell a
3.7150
Å
Cell b
8.8561
Å
Cell c
8.8561
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2ZnFe2Co5
Dy
4.00 · 20.0%
Zn
2.00 · 10.0%
Fe
4.00 · 20.0%
Co
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1920
eV/atom
Formation energy
0.0188
eV/atom
Corrected total energy
-125.6847
eV
Raw total energy
-125.6846
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.1389
Total magnetisation
20.4222
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Dy3Fe2Co7 Fe4Co3 Dy2Fe2Co15 DyZn2

Computed at

2022-07-14 19:02:04.893384

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: agm005142120).

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 agm005142120
data_agm005142120
_cell_length_a     3.71497
_cell_length_b     8.85614
_cell_length_c     8.85614
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       291.36962
_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 0.00000 0.68461 0.18461 1.00000
  Dy2 Dy 0.00000 0.31539 0.81539 1.00000
  Dy3 Dy 0.00000 0.18461 0.31539 1.00000
  Dy4 Dy 0.00000 0.81539 0.68461 1.00000
  Zn1 Zn 0.00000 0.00000 0.00000 1.00000
  Zn2 Zn 0.00000 0.50000 0.50000 1.00000
  Fe1 Fe 0.00000 0.11230 0.61230 1.00000
  Fe2 Fe 0.00000 0.88770 0.38770 1.00000
  Fe3 Fe 0.00000 0.61230 0.88770 1.00000
  Fe4 Fe 0.00000 0.38770 0.11230 1.00000
  Co1 Co 0.50000 0.20724 0.05688 1.00000
  Co2 Co 0.50000 0.79276 0.94312 1.00000
  Co3 Co 0.50000 0.05688 0.79276 1.00000
  Co4 Co 0.50000 0.70724 0.44312 1.00000
  Co5 Co 0.50000 0.94312 0.20724 1.00000
  Co6 Co 0.50000 0.29276 0.55688 1.00000
  Co7 Co 0.50000 0.55688 0.70724 1.00000
  Co8 Co 0.50000 0.44312 0.29276 1.00000
  Co9 Co 0.50000 0.50000 0.00000 1.00000
  Co10 Co 0.50000 0.00000 0.50000 1.00000
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