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Sm8AlSb2

Alexandria ALEX

Alex-ID: agm003533192 · Space group: C2/m (#12)

Basic Information

Formula
Sm8AlSb2
Alex-ID
agm003533192
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
337.73
ų
Cell a
5.1022
Å
Cell b
6.9545
Å
Cell c
10.0604
Å
α angle
101.63
°
β angle
104.69
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8AlSb2
Sm
8.00 · 72.7%
Al
1.00 · 9.1%
Sb
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1334
eV/atom
Formation energy
-0.4054
eV/atom
Corrected total energy
-54.2376
eV
Raw total energy
-54.2376
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
12.9445
Total magnetisation
-0.0026
μB

Additional Information

Prototype ID

AB2C8_277_spg12

Decomposition

SmAl Sm5Sb3 Sm

Computed at

2022-03-13 16:52:52.792680

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: agm003533192).

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 agm003533192
data_agm003533192
_cell_length_a     5.10224
_cell_length_b     6.95446
_cell_length_c     10.06040
_cell_angle_alpha  101.63044
_cell_angle_beta   104.68948
_cell_angle_gamma  90.00000
_cell_volume       337.72600
_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 0.40833 0.51795 0.81667 1.00000
  Sm2 Sm 0.65860 0.01763 0.31721 1.00000
  Sm3 Sm 0.78400 0.66357 0.56800 1.00000
  Sm4 Sm 0.98331 0.22953 0.96661 1.00000
  Sm5 Sm 0.21600 0.33643 0.43200 1.00000
  Sm6 Sm 0.34140 0.98237 0.68279 1.00000
  Sm7 Sm 0.59167 0.48205 0.18333 1.00000
  Sm8 Sm 0.01669 0.77047 0.03339 1.00000
  Al1 Al 0.50000 0.00000 0.00000 1.00000
  Sb1 Sb 0.82059 0.23331 0.64118 1.00000
  Sb2 Sb 0.17941 0.76669 0.35882 1.00000
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