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CeDy(MgSn2)2

Alexandria ALEX

Alex-ID: agm088123777 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
CeDy(MgSn2)2
Alex-ID
agm088123777
Elements
4
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
201.34
ų
Cell a
4.7919
Å
Cell b
4.7919
Å
Cell c
8.7683
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy(MgSn2)2
Ce
1.00 · 12.5%
Dy
1.00 · 12.5%
Mg
2.00 · 25.0%
Sn
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0100
eV/atom
Formation energy
-0.5001
eV/atom
Corrected total energy
-33.7388
eV
Raw total energy
-33.7388
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.8068
Total magnetisation
0.6650
μB

Additional Information

Prototype ID

ABC2D4_348_spg123

Decomposition

Ce2MgSn5 DyMgSn DySn2 Mg2Sn

Computed at

2025-03-16 07:44:08

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: agm088123777).

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 agm088123777
data_agm088123777
_cell_length_a     4.79194
_cell_length_b     4.79194
_cell_length_c     8.76833
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       201.34443
_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 0.50000 0.50000 0.00000 1.00000
  Dy1 Dy 0.50000 0.50000 0.50000 1.00000
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Mg2 Mg 0.00000 0.00000 0.50000 1.00000
  Sn1 Sn 0.50000 0.00000 0.25279 1.00000
  Sn2 Sn 0.50000 0.00000 0.74721 1.00000
  Sn3 Sn 0.00000 0.50000 0.25279 1.00000
  Sn4 Sn 0.00000 0.50000 0.74721 1.00000
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