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DyEr4Co

Alexandria ALEX

Alex-ID: agm005882844 · Space group: C2/m (#12)

Basic Information

Formula
DyEr4Co
Alex-ID
agm005882844
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
160.04
ų
Cell a
6.1603
Å
Cell b
3.5237
Å
Cell c
8.4380
Å
α angle
77.96
°
β angle
106.20
°
γ angle
73.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyEr4Co
Dy
1.00 · 16.7%
Er
4.00 · 66.7%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0768
eV/atom
Formation energy
-0.0467
eV/atom
Corrected total energy
-30.2591
eV
Raw total energy
-30.2591
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0169
eV
DOS at Fermi level
8.1690
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

ABC4_1592_spg12

Decomposition

Dy5Er4 DyEr5 Er3Co

Computed at

2023-08-05 00:23:20.115238

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: agm005882844).

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 agm005882844
data_agm005882844
_cell_length_a     6.16029
_cell_length_b     3.52371
_cell_length_c     8.43801
_cell_angle_alpha  77.95882
_cell_angle_beta   106.19784
_cell_angle_gamma  73.36581
_cell_volume       160.03612
_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 1.00000 0.00000 0.00000 1.00000
  Er1 Er 0.54660 0.12414 0.20763 1.00000
  Er2 Er 0.12475 0.24879 0.37794 1.00000
  Er3 Er 0.87525 0.75121 0.62206 1.00000
  Er4 Er 0.45340 0.87586 0.79237 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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