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Sm5(DyY)2

Alexandria ALEX

Alex-ID: agm009916628 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Sm5(DyY)2
Alex-ID
agm009916628
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
295.62
ų
Cell a
6.2151
Å
Cell b
6.2151
Å
Cell c
14.8375
Å
α angle
69.52
°
β angle
69.52
°
γ angle
33.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5(DyY)2
Sm
5.00 · 55.6%
Dy
2.00 · 22.2%
Y
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0212
eV/atom
Formation energy
0.0168
eV/atom
Corrected total energy
-45.6003
eV
Raw total energy
-45.6003
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2508
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_962_spg12

Decomposition

Sm3(DyY2)2 SmDy5 Sm4DyY

Computed at

2024-05-15 23:54:17.277234

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: agm009916628).

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 agm009916628
data_agm009916628
_cell_length_a     6.21507
_cell_length_b     6.21507
_cell_length_c     14.83754
_cell_angle_alpha  69.51720
_cell_angle_beta   69.51720
_cell_angle_gamma  33.65288
_cell_volume       295.62176
_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 0.88926 0.88926 0.94399 1.00000
  Sm2 Sm 0.11074 0.11074 0.05601 1.00000
  Sm3 Sm 0.44378 0.44378 0.72222 1.00000
  Sm4 Sm 0.55622 0.55622 0.27778 1.00000
  Sm5 Sm 0.00000 0.00000 0.50000 1.00000
  Dy1 Dy 0.33356 0.33356 0.16650 1.00000
  Dy2 Dy 0.66644 0.66644 0.83350 1.00000
  Y1 Y 0.77814 0.77814 0.38822 1.00000
  Y2 Y 0.22186 0.22186 0.61178 1.00000
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