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Sm3SbC

Alexandria ALEX

Alex-ID: agm003706089 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Sm3SbC
Alex-ID
agm003706089
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
285.56
ų
Cell a
4.2389
Å
Cell b
8.4727
Å
Cell c
8.3675
Å
α angle
79.30
°
β angle
90.00
°
γ angle
104.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm3SbC
Sm
6.00 · 60.0%
Sb
2.00 · 20.0%
C
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2112
eV/atom
Formation energy
-0.4009
eV/atom
Corrected total energy
-59.0429
eV
Raw total energy
-59.0429
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0135
eV
DOS at Fermi level
8.7742
Total magnetisation
0.7566
μB

Additional Information

Prototype ID

ABC3_5261_spg12

Decomposition

Sm3SbC

Computed at

2022-04-15 13:38:34.337216

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: agm003706089).

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 agm003706089
data_agm003706089
_cell_length_a     4.23886
_cell_length_b     8.47268
_cell_length_c     8.36754
_cell_angle_alpha  79.29847
_cell_angle_beta   90.00000
_cell_angle_gamma  104.48630
_cell_volume       285.56006
_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 0.04434 0.08867 0.16629 1.00000
  Sm2 Sm 0.95566 0.91133 0.83371 1.00000
  Sm3 Sm 0.67571 0.35142 0.87722 1.00000
  Sm4 Sm 0.32429 0.64858 0.12278 1.00000
  Sm5 Sm 0.84169 0.68337 0.43982 1.00000
  Sm6 Sm 0.15832 0.31663 0.56018 1.00000
  Sb1 Sb 0.32785 0.65571 0.72757 1.00000
  Sb2 Sb 0.67215 0.34429 0.27243 1.00000
  C1 C 0.09790 0.19580 0.87075 1.00000
  C2 C 0.90210 0.80420 0.12925 1.00000
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