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Sm3DyCd

Alexandria ALEX

Alex-ID: agm005772844 · Space group: C2/m (#12)

Basic Information

Formula
Sm3DyCd
Alex-ID
agm005772844
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
315.53
ų
Cell a
3.5615
Å
Cell b
8.4107
Å
Cell c
11.1855
Å
α angle
107.24
°
β angle
99.16
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm3DyCd
Sm
6.00 · 60.0%
Dy
2.00 · 20.0%
Cd
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1142
eV/atom
Formation energy
-0.0155
eV/atom
Corrected total energy
-39.5505
eV
Raw total energy
-39.5505
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0096
eV
DOS at Fermi level
13.4469
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_6477_spg12

Decomposition

SmDyCd Sm

Computed at

2023-07-03 05:17:41.358363

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: agm005772844).

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 agm005772844
data_agm005772844
_cell_length_a     3.56152
_cell_length_b     8.41065
_cell_length_c     11.18551
_cell_angle_alpha  107.23861
_cell_angle_beta   99.16061
_cell_angle_gamma  90.00000
_cell_volume       315.53069
_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 0.01422 0.23380 0.02845 1.00000
  Sm2 Sm 0.98578 0.76620 0.97155 1.00000
  Sm3 Sm 0.37958 0.95531 0.75916 1.00000
  Sm4 Sm 0.62042 0.04469 0.24084 1.00000
  Sm5 Sm 0.17521 0.44429 0.35042 1.00000
  Sm6 Sm 0.82479 0.55571 0.64958 1.00000
  Dy1 Dy 0.73226 0.81862 0.46451 1.00000
  Dy2 Dy 0.26774 0.18138 0.53549 1.00000
  Cd1 Cd 0.57772 0.60032 0.15544 1.00000
  Cd2 Cd 0.42228 0.39968 0.84456 1.00000
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