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Sm5Cd2Sn5

Alexandria ALEX

Alex-ID: agm003373671 · Space group: C2/m (#12)

Basic Information

Formula
Sm5Cd2Sn5
Alex-ID
agm003373671
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
346.74
ų
Cell a
4.5755
Å
Cell b
7.4649
Å
Cell c
12.6395
Å
α angle
120.72
°
β angle
90.00
°
γ angle
107.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Cd2Sn5
Sm
5.00 · 41.7%
Cd
2.00 · 16.7%
Sn
5.00 · 41.7%

Energy & Stability

Energy above hull
0.1823
eV/atom
Formation energy
-0.4829
eV/atom
Corrected total energy
-51.2739
eV
Raw total energy
-51.2739
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9950
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_48_spg12

Decomposition

SmCdSn SmSn

Computed at

2022-02-08 16:08:08.791020

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: agm003373671).

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 agm003373671
data_agm003373671
_cell_length_a     4.57548
_cell_length_b     7.46489
_cell_length_c     12.63955
_cell_angle_alpha  120.72166
_cell_angle_beta   90.00000
_cell_angle_gamma  107.84640
_cell_volume       346.73863
_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 0.50000 0.00000 0.50000 1.00000
  Sm2 Sm 0.65007 0.30014 0.99223 1.00000
  Sm3 Sm 0.65202 0.30404 0.29068 1.00000
  Sm4 Sm 0.34798 0.69596 0.70932 1.00000
  Sm5 Sm 0.34993 0.69986 0.00777 1.00000
  Cd1 Cd 0.08464 0.16927 0.77586 1.00000
  Cd2 Cd 0.91536 0.83073 0.22414 1.00000
  Sn1 Sn 0.12742 0.25484 0.45021 1.00000
  Sn2 Sn 0.72818 0.45637 0.78911 1.00000
  Sn3 Sn 0.27182 0.54363 0.21089 1.00000
  Sn4 Sn 0.87258 0.74516 0.54979 1.00000
  Sn5 Sn 0.00000 0.00000 0.00000 1.00000
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