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Dy7(CoPt)2

Alexandria ALEX

Alex-ID: agm003322367 · Space group: Cmmm (#65)

Basic Information

Formula
Dy7(CoPt)2
Alex-ID
agm003322367
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
269.38
ų
Cell a
6.5071
Å
Cell b
6.7200
Å
Cell c
6.5071
Å
α angle
90.00
°
β angle
108.78
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7(CoPt)2
Dy
7.00 · 63.6%
Co
2.00 · 18.2%
Pt
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1913
eV/atom
Formation energy
-0.4106
eV/atom
Corrected total energy
-63.1663
eV
Raw total energy
-63.1663
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.7283
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_243_spg65

Decomposition

Dy5Co2Pt Dy2Pt

Computed at

2022-01-24 05:41:21.023224

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: agm003322367).

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 agm003322367
data_agm003322367
_cell_length_a     6.50705
_cell_length_b     6.72002
_cell_length_c     6.50705
_cell_angle_alpha  89.99588
_cell_angle_beta   108.78466
_cell_angle_gamma  90.00412
_cell_volume       269.38146
_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 0.99980 0.25793 0.50033 1.00000
  Dy2 Dy 0.50033 0.74207 0.99980 1.00000
  Dy3 Dy 0.00020 0.74207 0.49967 1.00000
  Dy4 Dy 0.49967 0.25793 0.00020 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  Dy6 Dy 0.50023 0.74926 0.49977 1.00000
  Dy7 Dy 0.49977 0.25074 0.50023 1.00000
  Co1 Co 0.71000 0.99998 0.29000 1.00000
  Co2 Co 0.29000 0.00002 0.71000 1.00000
  Pt1 Pt 0.81229 0.50000 0.81229 1.00000
  Pt2 Pt 0.18771 0.50000 0.18771 1.00000
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