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Sm2Ge5OsRh2

Alexandria ALEX

Alex-ID: agm040897608 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Sm2Ge5OsRh2
Alex-ID
agm040897608
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
367.68
ų
Cell a
8.3926
Å
Cell b
8.3926
Å
Cell c
5.9895
Å
α angle
70.68
°
β angle
70.68
°
γ angle
94.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2Ge5OsRh2
Sm
4.00 · 20.0%
Ge
10.00 · 50.0%
Os
2.00 · 10.0%
Rh
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7070
eV/atom
Corrected total energy
-131.0739
eV
Raw total energy
-131.0739
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0897
eV
DOS at Fermi level
7.5498
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Sm2Ge5OsRh2

Computed at

2024-10-12 18:04:30.152566

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: agm040897608).

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 agm040897608
data_agm040897608
_cell_length_a     8.39262
_cell_length_b     8.39262
_cell_length_c     5.98952
_cell_angle_alpha  70.68482
_cell_angle_beta   70.68482
_cell_angle_gamma  94.23364
_cell_volume       367.68489
_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 0.59861 0.87123 0.25622 1.00000
  Sm2 Sm 0.12877 0.40139 0.24378 1.00000
  Sm3 Sm 0.40139 0.12877 0.74378 1.00000
  Sm4 Sm 0.87123 0.59861 0.75622 1.00000
  Ge1 Ge 0.26167 0.07439 0.33228 1.00000
  Ge2 Ge 0.92561 0.73833 0.16772 1.00000
  Ge3 Ge 0.73833 0.92561 0.66772 1.00000
  Ge4 Ge 0.07439 0.26167 0.83228 1.00000
  Ge5 Ge 0.48880 0.51120 0.25000 1.00000
  Ge6 Ge 0.51120 0.48880 0.75000 1.00000
  Ge7 Ge 0.79104 0.20896 0.25000 1.00000
  Ge8 Ge 0.20896 0.79104 0.75000 1.00000
  Ge9 Ge 0.22166 0.77834 0.25000 1.00000
  Ge10 Ge 0.77834 0.22166 0.75000 1.00000
  Os1 Os 0.99646 0.00354 0.25000 1.00000
  Os2 Os 0.00354 0.99646 0.75000 1.00000
  Rh1 Rh 0.54647 0.26227 0.12223 1.00000
  Rh2 Rh 0.73773 0.45353 0.37777 1.00000
  Rh3 Rh 0.45353 0.73773 0.87777 1.00000
  Rh4 Rh 0.26227 0.54647 0.62223 1.00000
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