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Dy3Co2Sn

Alexandria ALEX

Alex-ID: agm032143411 · Space group: P4/mmm (#123)

Basic Information

Formula
Dy3Co2Sn
Alex-ID
agm032143411
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
127.71
ų
Cell a
3.3312
Å
Cell b
3.3312
Å
Cell c
11.5084
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Co2Sn
Dy
3.00 · 50.0%
Co
2.00 · 33.3%
Sn
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1243
eV/atom
Formation energy
-0.3068
eV/atom
Corrected total energy
-33.9023
eV
Raw total energy
-33.9023
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
2.2394
Total magnetisation
0.6401
μB

Additional Information

Prototype ID

AB2C3_4614_spg10

Decomposition

Dy2Co3 Dy5Sn3

Computed at

2025-04-13 14:30:02

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: agm032143411).

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 agm032143411
data_agm032143411
_cell_length_a     3.33118
_cell_length_b     3.33118
_cell_length_c     11.50836
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       127.70525
_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 0.50000 0.50000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.70869 1.00000
  Dy3 Dy 0.50000 0.50000 0.29131 1.00000
  Co1 Co 0.00000 0.00000 0.85116 1.00000
  Co2 Co 0.00000 0.00000 0.14884 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
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