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Ce2DySn2

Alexandria ALEX

Alex-ID: agm012732041 · Space group: Immm (#71)

Basic Information

Formula
Ce2DySn2
Alex-ID
agm012732041
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
143.62
ų
Cell a
5.9220
Å
Cell b
5.9220
Å
Cell c
5.9220
Å
α angle
129.68
°
β angle
106.22
°
γ angle
94.71
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2DySn2
Ce
2.00 · 40.0%
Dy
1.00 · 20.0%
Sn
2.00 · 40.0%

Energy & Stability

Energy above hull
0.1001
eV/atom
Formation energy
-0.5243
eV/atom
Corrected total energy
-27.0986
eV
Raw total energy
-27.0986
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
11.4749
Total magnetisation
1.7074
μB

Additional Information

Prototype ID

AB2C2_2_spg71

Decomposition

Ce3Sn Ce5Sn4 Dy5Sn3

Computed at

2024-07-13 16:54:22.589526

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: agm012732041).

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 agm012732041
data_agm012732041
_cell_length_a     5.92196
_cell_length_b     5.92196
_cell_length_c     5.92196
_cell_angle_alpha  129.67827
_cell_angle_beta   106.22069
_cell_angle_gamma  94.71424
_cell_volume       143.62306
_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
  Ce1 Ce 0.67091 0.17091 0.50000 1.00000
  Ce2 Ce 0.32909 0.82909 0.50000 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Sn1 Sn 0.27536 0.50000 0.77536 1.00000
  Sn2 Sn 0.72464 0.50000 0.22464 1.00000
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