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Sm4Cd3Ag

Alexandria ALEX

Alex-ID: agm033738066 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Sm4Cd3Ag
Alex-ID
agm033738066
Elements
3
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
217.28
ų
Cell a
9.2821
Å
Cell b
9.2821
Å
Cell c
9.2821
Å
α angle
33.52
°
β angle
33.52
°
γ angle
33.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm4Cd3Ag
Sm
4.00 · 50.0%
Cd
3.00 · 37.5%
Ag
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0091
eV/atom
Formation energy
-0.2938
eV/atom
Corrected total energy
-26.8663
eV
Raw total energy
-26.8663
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6893
Total magnetisation
1.0980
μB

Additional Information

Prototype ID

AB3C4_447_spg12

Decomposition

SmCd Sm5CdAg4

Computed at

2024-11-14 00:48:52.095125

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: agm033738066).

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 agm033738066
data_agm033738066
_cell_length_a     9.28214
_cell_length_b     9.28214
_cell_length_c     9.28214
_cell_angle_alpha  33.52496
_cell_angle_beta   33.52496
_cell_angle_gamma  33.52496
_cell_volume       217.27733
_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 0.37725 0.37725 0.37725 1.00000
  Sm2 Sm 0.87309 0.87309 0.87309 1.00000
  Sm3 Sm 0.12691 0.12691 0.12691 1.00000
  Sm4 Sm 0.62275 0.62275 0.62275 1.00000
  Cd1 Cd 0.74720 0.74720 0.74720 1.00000
  Cd2 Cd 0.25280 0.25280 0.25280 1.00000
  Cd3 Cd 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
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