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Sm8Ga2Sn

Alexandria ALEX

Alex-ID: agm003528702 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Ga2Sn
Alex-ID
agm003528702
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
317.28
ų
Cell a
4.9401
Å
Cell b
8.0404
Å
Cell c
8.9408
Å
α angle
110.75
°
β angle
106.04
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Ga2Sn
Sm
8.00 · 72.7%
Ga
2.00 · 18.2%
Sn
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0671
eV/atom
Formation energy
-0.3325
eV/atom
Corrected total energy
-51.5068
eV
Raw total energy
-51.5068
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0224
eV
DOS at Fermi level
11.2033
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_310_spg12

Decomposition

Sm5Ga2Sn Sm

Computed at

2022-03-15 07:36:52.633946

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: agm003528702).

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 agm003528702
data_agm003528702
_cell_length_a     4.94014
_cell_length_b     8.04035
_cell_length_c     8.94081
_cell_angle_alpha  110.74957
_cell_angle_beta   106.03767
_cell_angle_gamma  90.00000
_cell_volume       317.27518
_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 0.39762 0.54291 0.79523 1.00000
  Sm2 Sm 0.67710 0.94429 0.35420 1.00000
  Sm3 Sm 0.83566 0.75617 0.67131 1.00000
  Sm4 Sm 0.95042 0.26238 0.90085 1.00000
  Sm5 Sm 0.16434 0.24383 0.32869 1.00000
  Sm6 Sm 0.32290 0.05571 0.64580 1.00000
  Sm7 Sm 0.60238 0.45709 0.20477 1.00000
  Sm8 Sm 0.04958 0.73762 0.09915 1.00000
  Ga1 Ga 0.78563 0.33601 0.57125 1.00000
  Ga2 Ga 0.21437 0.66399 0.42875 1.00000
  Sn1 Sn 0.50000 0.00000 0.00000 1.00000
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