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Dy2Co2Sn

Alexandria ALEX

Alex-ID: agm003396014 · Space group: C2/c (#15)

Basic Information

Formula
Dy2Co2Sn
Alex-ID
agm003396014
Elements
3
Sites
10
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
197.78
ų
Cell a
5.4611
Å
Cell b
5.5313
Å
Cell c
7.7731
Å
α angle
102.49
°
β angle
90.00
°
γ angle
119.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Co2Sn
Dy
4.00 · 40.0%
Co
4.00 · 40.0%
Sn
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0212
eV/atom
Formation energy
-0.4145
eV/atom
Corrected total energy
-59.0611
eV
Raw total energy
-59.0611
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0053
eV
DOS at Fermi level
8.8395
Total magnetisation
1.1801
μB

Additional Information

Prototype ID

AB2C2_18_spg15

Decomposition

Dy2Co17 DyCo3 Dy5Sn3

Computed at

2022-02-10 04:46:44.675275

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: agm003396014).

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 agm003396014
data_agm003396014
_cell_length_a     5.46107
_cell_length_b     5.53133
_cell_length_c     7.77314
_cell_angle_alpha  102.49208
_cell_angle_beta   90.00000
_cell_angle_gamma  119.58071
_cell_volume       197.78213
_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 0.49809 0.29504 0.14762 1.00000
  Dy2 Dy 0.20305 0.70496 0.35238 1.00000
  Dy3 Dy 0.50191 0.70496 0.85238 1.00000
  Dy4 Dy 0.79695 0.29504 0.64762 1.00000
  Co1 Co 0.70087 0.70270 0.49802 1.00000
  Co2 Co 0.99817 0.29730 0.00198 1.00000
  Co3 Co 0.29913 0.29730 0.50198 1.00000
  Co4 Co 0.00183 0.70270 0.99802 1.00000
  Sn1 Sn 0.85517 0.00000 0.25000 1.00000
  Sn2 Sn 0.14483 1.00000 0.75000 1.00000
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