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Dy2Fe2Co5Si

Alexandria ALEX

Alex-ID: agm005133808 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Dy2Fe2Co5Si
Alex-ID
agm005133808
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
285.05
ų
Cell a
3.1423
Å
Cell b
9.5244
Å
Cell c
9.5244
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Fe2Co5Si
Dy
4.00 · 20.0%
Fe
4.00 · 20.0%
Co
10.00 · 50.0%
Si
2.00 · 10.0%

Energy & Stability

Energy above hull
0.2413
eV/atom
Formation energy
-0.0760
eV/atom
Corrected total energy
-135.8697
eV
Raw total energy
-135.8697
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.2589
Total magnetisation
20.0374
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Dy2(FeCo)5 Dy4Co9Si5 Fe2Co Dy3Fe2Co7

Computed at

2022-07-15 05:31:24.210197

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: agm005133808).

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 agm005133808
data_agm005133808
_cell_length_a     3.14228
_cell_length_b     9.52439
_cell_length_c     9.52439
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       285.04890
_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 0.67429 0.17429 1.00000
  Dy2 Dy 0.00000 0.32571 0.82571 1.00000
  Dy3 Dy 0.00000 0.17429 0.32571 1.00000
  Dy4 Dy 0.00000 0.82571 0.67429 1.00000
  Fe1 Fe 0.00000 0.13035 0.63035 1.00000
  Fe2 Fe 0.00000 0.86965 0.36965 1.00000
  Fe3 Fe 0.00000 0.63035 0.86965 1.00000
  Fe4 Fe 0.00000 0.36965 0.13035 1.00000
  Co1 Co 0.50000 0.19243 0.05551 1.00000
  Co2 Co 0.50000 0.80757 0.94449 1.00000
  Co3 Co 0.50000 0.05551 0.80757 1.00000
  Co4 Co 0.50000 0.69243 0.44449 1.00000
  Co5 Co 0.50000 0.94449 0.19243 1.00000
  Co6 Co 0.50000 0.30757 0.55551 1.00000
  Co7 Co 0.50000 0.55551 0.69243 1.00000
  Co8 Co 0.50000 0.44449 0.30757 1.00000
  Co9 Co 0.50000 0.50000 0.00000 1.00000
  Co10 Co 0.50000 0.00000 0.50000 1.00000
  Si1 Si 0.00000 0.00000 0.00000 1.00000
  Si2 Si 0.00000 0.50000 0.50000 1.00000
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