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Sm4Dy3Cd4

Alexandria ALEX

Alex-ID: agm003378032 · Space group: Immm (#71)

Basic Information

Formula
Sm4Dy3Cd4
Alex-ID
agm003378032
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
325.68
ų
Cell a
5.3392
Å
Cell b
6.8999
Å
Cell c
9.8582
Å
α angle
110.48
°
β angle
105.71
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm4Dy3Cd4
Sm
4.00 · 36.4%
Dy
3.00 · 27.3%
Cd
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1637
eV/atom
Formation energy
-0.0697
eV/atom
Corrected total energy
-37.1666
eV
Raw total energy
-37.1666
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7777
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_53_spg71

Decomposition

SmDyCd SmCd

Computed at

2022-02-09 01:52:02.717970

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: agm003378032).

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 agm003378032
data_agm003378032
_cell_length_a     5.33917
_cell_length_b     6.89989
_cell_length_c     9.85819
_cell_angle_alpha  110.48470
_cell_angle_beta   105.71182
_cell_angle_gamma  90.00000
_cell_volume       325.68260
_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 0.31859 0.07986 0.63718 1.00000
  Sm2 Sm 0.68141 0.44267 0.36282 1.00000
  Sm3 Sm 0.68141 0.92014 0.36282 1.00000
  Sm4 Sm 0.31859 0.55733 0.63718 1.00000
  Dy1 Dy 0.09768 0.09768 0.19536 1.00000
  Dy2 Dy 0.90232 0.90232 0.80464 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Cd1 Cd 0.16947 0.66947 0.33894 1.00000
  Cd2 Cd 0.83053 0.33053 0.66106 1.00000
  Cd3 Cd 0.50000 0.78844 0.00000 1.00000
  Cd4 Cd 0.50000 0.21156 1.00000 1.00000
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