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Sm8Sn2Rh

Alexandria ALEX

Alex-ID: agm003528967 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Sn2Rh
Alex-ID
agm003528967
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
327.74
ų
Cell a
5.0176
Å
Cell b
6.8997
Å
Cell c
10.0718
Å
α angle
103.50
°
β angle
104.42
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Sn2Rh
Sm
8.00 · 72.7%
Sn
2.00 · 18.2%
Rh
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0755
eV/atom
Formation energy
-0.4323
eV/atom
Corrected total energy
-57.9010
eV
Raw total energy
-57.9010
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5248
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_277_spg12

Decomposition

Sm5Sn3 Sm3Rh Sm

Computed at

2022-03-17 09:21:14.539666

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: agm003528967).

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 agm003528967
data_agm003528967
_cell_length_a     5.01756
_cell_length_b     6.89967
_cell_length_c     10.07177
_cell_angle_alpha  103.49820
_cell_angle_beta   104.42369
_cell_angle_gamma  90.00000
_cell_volume       327.73519
_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 0.40857 0.52808 0.81715 1.00000
  Sm2 Sm 0.64558 0.00267 0.29116 1.00000
  Sm3 Sm 0.78393 0.67679 0.56787 1.00000
  Sm4 Sm 0.98320 0.21789 0.96640 1.00000
  Sm5 Sm 0.21607 0.32321 0.43213 1.00000
  Sm6 Sm 0.35442 0.99733 0.70884 1.00000
  Sm7 Sm 0.59143 0.47192 0.18285 1.00000
  Sm8 Sm 0.01680 0.78211 0.03360 1.00000
  Sn1 Sn 0.81796 0.24049 0.63591 1.00000
  Sn2 Sn 0.18204 0.75951 0.36409 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
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