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Sm5(Dy6Cd)2

Alexandria ALEX

Alex-ID: agm003369657 · Space group: C2/m (#12)

Basic Information

Formula
Sm5(Dy6Cd)2
Alex-ID
agm003369657
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
597.15
ų
Cell a
9.2608
Å
Cell b
12.0902
Å
Cell c
8.3277
Å
α angle
131.74
°
β angle
90.00
°
γ angle
112.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5(Dy6Cd)2
Sm
5.00 · 26.3%
Dy
12.00 · 63.2%
Cd
2.00 · 10.5%

Energy & Stability

Energy above hull
0.1183
eV/atom
Formation energy
0.0471
eV/atom
Corrected total energy
-79.8140
eV
Raw total energy
-79.8140
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.4615
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B5C12_28_spg12

Decomposition

Sm3Dy5 SmDyCd SmDy5

Computed at

2022-02-06 16:39:25.903473

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: agm003369657).

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 agm003369657
data_agm003369657
_cell_length_a     9.26079
_cell_length_b     12.09015
_cell_length_c     8.32765
_cell_angle_alpha  131.73570
_cell_angle_beta   90.00000
_cell_angle_gamma  112.51895
_cell_volume       597.15074
_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 0.29911 0.59822 0.61346 1.00000
  Sm2 Sm 0.23400 0.46800 0.89197 1.00000
  Sm3 Sm 0.00000 0.00000 0.50000 1.00000
  Sm4 Sm 0.76600 0.53200 0.10803 1.00000
  Sm5 Sm 0.70089 0.40178 0.38654 1.00000
  Dy1 Dy 0.07835 0.15670 0.27575 1.00000
  Dy2 Dy 0.03726 0.70903 0.94672 1.00000
  Dy3 Dy 0.67177 0.70903 0.94672 1.00000
  Dy4 Dy 0.18062 0.74673 0.41880 1.00000
  Dy5 Dy 0.56611 0.74673 0.41880 1.00000
  Dy6 Dy 0.55496 0.10992 0.78423 1.00000
  Dy7 Dy 0.44504 0.89008 0.21577 1.00000
  Dy8 Dy 0.81938 0.25327 0.58120 1.00000
  Dy9 Dy 0.43389 0.25327 0.58120 1.00000
  Dy10 Dy 0.96274 0.29097 0.05328 1.00000
  Dy11 Dy 0.32823 0.29097 0.05328 1.00000
  Dy12 Dy 0.92165 0.84330 0.72425 1.00000
  Cd1 Cd 0.67374 0.00000 0.00000 1.00000
  Cd2 Cd 0.32626 1.00000 1.00000 1.00000
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