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Sm5Dy

Alexandria ALEX

Alex-ID: agm012777014 · Space group: C2/m (#12)

Basic Information

Formula
Sm5Dy
Alex-ID
agm012777014
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
400.79
ų
Cell a
9.5579
Å
Cell b
9.5579
Å
Cell c
10.2300
Å
α angle
57.66
°
β angle
122.34
°
γ angle
148.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Dy
Sm
10.00 · 83.3%
Dy
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0196
eV/atom
Formation energy
0.0186
eV/atom
Corrected total energy
-56.2196
eV
Raw total energy
-56.2196
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
15.8949
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_1818_spg12

Decomposition

Sm3Dy5 Sm

Computed at

2025-04-15 09:41:20

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: agm012777014).

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 agm012777014
data_agm012777014
_cell_length_a     9.55790
_cell_length_b     9.55790
_cell_length_c     10.23005
_cell_angle_alpha  57.65722
_cell_angle_beta   122.34278
_cell_angle_gamma  148.96001
_cell_volume       400.78517
_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
  Sm1 Sm 0.91731 0.08269 0.79349 1.00000
  Sm2 Sm 0.08269 0.91731 0.20651 1.00000
  Sm3 Sm 0.41674 0.58326 0.54214 1.00000
  Sm4 Sm 0.58326 0.41674 0.45786 1.00000
  Sm5 Sm 0.24942 0.75058 0.12397 1.00000
  Sm6 Sm 0.75058 0.24942 0.87603 1.00000
  Sm7 Sm 0.08325 0.91675 0.70937 1.00000
  Sm8 Sm 0.91675 0.08325 0.29063 1.00000
  Sm9 Sm 0.25009 0.74991 0.62561 1.00000
  Sm10 Sm 0.74991 0.25009 0.37439 1.00000
  Dy1 Dy 0.58305 0.41695 0.95843 1.00000
  Dy2 Dy 0.41695 0.58305 0.04157 1.00000
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