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Sm5Sn15Rh8

Alexandria ALEX

Alex-ID: agm009409663 · Space group: Pm (#6)

Basic Information

Formula
Sm5Sn15Rh8
Alex-ID
agm009409663
Elements
3
Sites
28
Space group
Pm (#6)
Crystal system
monoclinic
Volume
610.86
ų
Cell a
7.3134
Å
Cell b
4.4749
Å
Cell c
18.6657
Å
α angle
90.00
°
β angle
89.84
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Sn15Rh8
Sm
5.00 · 17.9%
Sn
15.00 · 53.6%
Rh
8.00 · 28.6%

Energy & Stability

Energy above hull
0.0008
eV/atom
Formation energy
-0.6834
eV/atom
Corrected total energy
-161.6071
eV
Raw total energy
-161.6071
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3580
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B8C15_0_spg6

Decomposition

Sm(Sn2Rh)2 Sm2Sn5Rh3 Sm7Sn23Rh6

Computed at

2025-01-29 08:34:18

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: agm009409663).

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 agm009409663
data_agm009409663
_cell_length_a     7.31340
_cell_length_b     4.47486
_cell_length_c     18.66572
_cell_angle_alpha  90.00000
_cell_angle_beta   89.84068
_cell_angle_gamma  90.00000
_cell_volume       610.85969
_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 0.99613 0.50000 0.14393 1.00000
  Sm2 Sm 0.50280 0.50000 0.64285 1.00000
  Sm3 Sm 0.00283 0.00000 0.85700 1.00000
  Sm4 Sm 0.49834 0.00000 0.35820 1.00000
  Sm5 Sm 0.50589 0.50000 0.06943 1.00000
  Sn1 Sn 0.27905 0.00000 0.19280 1.00000
  Sn2 Sn 0.22222 0.00000 0.69369 1.00000
  Sn3 Sn 0.72554 0.50000 0.80660 1.00000
  Sn4 Sn 0.78006 0.50000 0.30676 1.00000
  Sn5 Sn 0.14596 0.00000 0.03127 1.00000
  Sn6 Sn 0.36822 0.00000 0.53282 1.00000
  Sn7 Sn 0.86811 0.50000 0.96782 1.00000
  Sn8 Sn 0.63062 0.50000 0.46806 1.00000
  Sn9 Sn 0.69555 0.00000 0.18088 1.00000
  Sn10 Sn 0.79966 0.00000 0.68203 1.00000
  Sn11 Sn 0.30129 0.50000 0.81412 1.00000
  Sn12 Sn 0.19532 0.50000 0.32082 1.00000
  Sn13 Sn 0.97720 0.50000 0.56638 1.00000
  Sn14 Sn 0.48800 0.00000 0.93332 1.00000
  Sn15 Sn 0.01994 0.00000 0.43235 1.00000
  Rh1 Rh 0.76979 0.00000 0.03573 1.00000
  Rh2 Rh 0.74968 0.00000 0.53515 1.00000
  Rh3 Rh 0.23761 0.50000 0.95488 1.00000
  Rh4 Rh 0.24868 0.50000 0.46671 1.00000
  Rh5 Rh 0.98128 0.00000 0.28401 1.00000
  Rh6 Rh 0.51751 0.00000 0.78591 1.00000
  Rh7 Rh 0.01331 0.50000 0.71103 1.00000
  Rh8 Rh 0.47941 0.50000 0.22544 1.00000
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