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DyCo

Alexandria ALEX

Alex-ID: agm010164485 · Space group: I4_1/amd (#141)

Basic Information

Formula
DyCo
Alex-ID
agm010164485
Elements
2
Sites
8
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
159.06
ų
Cell a
10.6810
Å
Cell b
10.6810
Å
Cell c
10.6810
Å
α angle
158.81
°
β angle
158.81
°
γ angle
30.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyCo
Dy
4.00 · 50.0%
Co
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0075
eV/atom
Formation energy
-0.1929
eV/atom
Corrected total energy
-48.4533
eV
Raw total energy
-48.4533
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0105
eV
DOS at Fermi level
8.7164
Total magnetisation
0.8210
μB

Additional Information

Prototype ID

AB_1591_spg1

Decomposition

DyCo

Computed at

2024-05-11 02:05:17.191838

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: agm010164485).

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 agm010164485
data_agm010164485
_cell_length_a     10.68101
_cell_length_b     10.68101
_cell_length_c     10.68101
_cell_angle_alpha  158.81374
_cell_angle_beta   158.81374
_cell_angle_gamma  30.13773
_cell_volume       159.05572
_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 0.44681 0.94681 0.50000 1.00000
  Dy2 Dy 0.69681 0.69681 0.00000 1.00000
  Dy3 Dy 0.30319 0.30319 0.00000 1.00000
  Dy4 Dy 0.05319 0.55319 0.50000 1.00000
  Co1 Co 0.59589 0.09589 0.50000 1.00000
  Co2 Co 0.84589 0.84589 0.00000 1.00000
  Co3 Co 0.15411 0.15411 0.00000 1.00000
  Co4 Co 0.90411 0.40411 0.50000 1.00000
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