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Sm4CoSn

Alexandria ALEX

Alex-ID: agm003735232 · Space group: C2/m (#12)

Basic Information

Formula
Sm4CoSn
Alex-ID
agm003735232
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
329.79
ų
Cell a
5.9788
Å
Cell b
7.1487
Å
Cell c
9.0211
Å
α angle
113.34
°
β angle
109.50
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm4CoSn
Sm
8.00 · 66.7%
Co
2.00 · 16.7%
Sn
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0535
eV/atom
Formation energy
-0.3178
eV/atom
Corrected total energy
-63.8553
eV
Raw total energy
-63.8553
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0058
eV
DOS at Fermi level
13.4161
Total magnetisation
0.0237
μB

Additional Information

Prototype ID

ABC4_1120_spg12

Decomposition

Sm3Co Sm12Co6Sn Sm5Sn3

Computed at

2022-04-18 10:02:24.362885

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: agm003735232).

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 agm003735232
data_agm003735232
_cell_length_a     5.97884
_cell_length_b     7.14875
_cell_length_c     9.02113
_cell_angle_alpha  113.34225
_cell_angle_beta   109.50019
_cell_angle_gamma  90.00000
_cell_volume       329.79072
_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 0.19092 0.68471 0.36941 1.00000
  Sm2 Sm 0.37987 0.13259 0.76398 1.00000
  Sm3 Sm 1.00000 0.22059 1.00000 1.00000
  Sm4 Sm 0.62013 0.36861 0.23602 1.00000
  Sm5 Sm 0.80908 0.31529 0.63059 1.00000
  Sm6 Sm 0.62013 0.86741 0.23602 1.00000
  Sm7 Sm 0.00000 0.77941 0.00000 1.00000
  Sm8 Sm 0.37987 0.63139 0.76398 1.00000
  Co1 Co 0.28728 0.50292 0.00585 1.00000
  Co2 Co 0.71272 0.49708 0.99415 1.00000
  Sn1 Sn 0.80634 0.80492 0.60984 1.00000
  Sn2 Sn 0.19366 0.19508 0.39016 1.00000
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