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Sm7AgRh4

Alexandria ALEX

Alex-ID: agm003666832 · Space group: C2/m (#12)

Basic Information

Formula
Sm7AgRh4
Alex-ID
agm003666832
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
305.01
ų
Cell a
5.5546
Å
Cell b
8.5514
Å
Cell c
7.4141
Å
α angle
74.99
°
β angle
68.00
°
γ angle
71.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm7AgRh4
Sm
7.00 · 58.3%
Ag
1.00 · 8.3%
Rh
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2084
eV/atom
Formation energy
-0.3997
eV/atom
Corrected total energy
-70.1180
eV
Raw total energy
-70.1180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
8.3739
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_87_spg12

Decomposition

Sm2AgRh Sm5Rh3

Computed at

2022-04-20 13:49:58.827885

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: agm003666832).

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 agm003666832
data_agm003666832
_cell_length_a     5.55460
_cell_length_b     8.55138
_cell_length_c     7.41409
_cell_angle_alpha  74.98625
_cell_angle_beta   68.00055
_cell_angle_gamma  71.04788
_cell_volume       305.00906
_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 0.79308 0.88056 0.53329 1.00000
  Sm2 Sm 0.20692 0.11944 0.46671 1.00000
  Sm3 Sm 0.07760 0.63205 0.21276 1.00000
  Sm4 Sm 0.92240 0.36795 0.78724 1.00000
  Sm5 Sm 0.32398 0.62572 0.72631 1.00000
  Sm6 Sm 0.50000 0.00000 0.00000 1.00000
  Sm7 Sm 0.67602 0.37428 0.27369 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.56703 0.22120 0.64474 1.00000
  Rh2 Rh 0.43297 0.77880 0.35526 1.00000
  Rh3 Rh 0.70449 0.65864 0.93238 1.00000
  Rh4 Rh 0.29551 0.34136 0.06762 1.00000
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