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Sm8Ni2Sn

Alexandria ALEX

Alex-ID: agm006016500 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Ni2Sn
Alex-ID
agm006016500
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
312.92
ų
Cell a
5.4528
Å
Cell b
8.0762
Å
Cell c
8.0762
Å
α angle
114.78
°
β angle
97.65
°
γ angle
97.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Ni2Sn
Sm
8.00 · 72.7%
Ni
2.00 · 18.2%
Sn
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1209
eV/atom
Formation energy
-0.1900
eV/atom
Corrected total energy
-55.4492
eV
Raw total energy
-55.4492
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0171
eV
DOS at Fermi level
13.2423
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Sm3Ni Sm5Sn3 Sm

Computed at

2023-09-27 20:58:07

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: agm006016500).

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 agm006016500
data_agm006016500
_cell_length_a     5.45285
_cell_length_b     8.07620
_cell_length_c     8.07620
_cell_angle_alpha  114.77770
_cell_angle_beta   97.64780
_cell_angle_gamma  97.64780
_cell_volume       312.92010
_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 0.57036 0.33148 0.07974 1.00000
  Sm2 Sm 0.57036 0.07974 0.33148 1.00000
  Sm3 Sm 0.19682 0.39828 0.39828 1.00000
  Sm4 Sm 0.99990 0.25122 0.75523 1.00000
  Sm5 Sm 0.99990 0.75523 0.25122 1.00000
  Sm6 Sm 0.80324 0.60782 0.60782 1.00000
  Sm7 Sm 0.42979 0.92645 0.67464 1.00000
  Sm8 Sm 0.42979 0.67464 0.92645 1.00000
  Ni1 Ni 0.49968 0.70147 0.30456 1.00000
  Ni2 Ni 0.49968 0.30456 0.70147 1.00000
  Sn1 Sn 0.00016 0.00305 0.00305 1.00000
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