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Dy4MnCo2

Alexandria ALEX

Alex-ID: agm095970457 · Space group: P-1 (#2)

Basic Information

Formula
Dy4MnCo2
Alex-ID
agm095970457
Elements
3
Sites
7
Space group
P-1 (#2)
Crystal system
triclinic
Volume
155.06
ų
Cell a
4.4201
Å
Cell b
4.5617
Å
Cell c
7.7200
Å
α angle
94.23
°
β angle
89.79
°
γ angle
92.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4MnCo2
Dy
4.00 · 57.1%
Mn
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2470
eV/atom
Formation energy
0.0941
eV/atom
Corrected total energy
-41.1731
eV
Raw total energy
-41.1731
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
6.1302
Total magnetisation
0.2322
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

Dy5Co2 Mn DyCo

Computed at

2025-04-10 22:13:19

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: agm095970457).

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 agm095970457
data_agm095970457
_cell_length_a     4.42014
_cell_length_b     4.56167
_cell_length_c     7.71996
_cell_angle_alpha  94.22649
_cell_angle_beta   89.78507
_cell_angle_gamma  92.72420
_cell_volume       155.06060
_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 0.25221 0.47329 0.82511 1.00000
  Dy2 Dy 0.24730 0.05281 0.33942 1.00000
  Dy3 Dy 0.75270 0.94719 0.66058 1.00000
  Dy4 Dy 0.74779 0.52671 0.17489 1.00000
  Mn1 Mn 0.50000 0.00000 0.00000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.50000 0.50000 1.00000
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