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Sm8Ag2Rh

Alexandria ALEX

Alex-ID: agm006018686 · Space group: Cm (#8)

Basic Information

Formula
Sm8Ag2Rh
Alex-ID
agm006018686
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
327.26
ų
Cell a
6.2121
Å
Cell b
8.9982
Å
Cell c
8.9982
Å
α angle
129.74
°
β angle
103.08
°
γ angle
103.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Ag2Rh
Sm
8.00 · 72.7%
Ag
2.00 · 18.2%
Rh
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1071
eV/atom
Formation energy
-0.1665
eV/atom
Corrected total energy
-52.6741
eV
Raw total energy
-52.6741
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.9028
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1048_spg8

Decomposition

Sm4AgRh SmAg Sm

Computed at

2023-09-29 21:12:54

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: agm006018686).

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 agm006018686
data_agm006018686
_cell_length_a     6.21214
_cell_length_b     8.99818
_cell_length_c     8.99818
_cell_angle_alpha  129.73944
_cell_angle_beta   103.08209
_cell_angle_gamma  103.08209
_cell_volume       327.25627
_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 0.65152 0.38849 0.15643 1.00000
  Sm2 Sm 0.65152 0.15643 0.38849 1.00000
  Sm3 Sm 0.14141 0.28107 0.28107 1.00000
  Sm4 Sm 0.98451 0.19849 0.80957 1.00000
  Sm5 Sm 0.98451 0.80957 0.19849 1.00000
  Sm6 Sm 0.76383 0.73448 0.73448 1.00000
  Sm7 Sm 0.28604 0.84146 0.61039 1.00000
  Sm8 Sm 0.28604 0.61039 0.84146 1.00000
  Ag1 Ag 0.48369 0.72574 0.28622 1.00000
  Ag2 Ag 0.48369 0.28622 0.72574 1.00000
  Rh1 Rh 0.28292 0.00158 0.00158 1.00000
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