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Sr(Sm2Co)4

Alexandria ALEX

Alex-ID: agm097652352 · Space group: Cm (#8)

Basic Information

Formula
Sr(Sm2Co)4
Alex-ID
agm097652352
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
363.16
ų
Cell a
3.7556
Å
Cell b
10.5387
Å
Cell c
11.0624
Å
α angle
122.18
°
β angle
80.21
°
γ angle
100.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(Sm2Co)4
Sr
1.00 · 7.7%
Sm
8.00 · 61.5%
Co
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1077
eV/atom
Formation energy
0.0104
eV/atom
Corrected total energy
-67.8371
eV
Raw total energy
-67.8371
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0099
eV
DOS at Fermi level
11.2988
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1248_spg8

Decomposition

Sm5Co2 Sr SmCo

Computed at

2025-06-13 02:06:26

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: agm097652352).

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 agm097652352
data_agm097652352
_cell_length_a     3.75556
_cell_length_b     10.53865
_cell_length_c     11.06245
_cell_angle_alpha  122.17735
_cell_angle_beta   80.20786
_cell_angle_gamma  100.27500
_cell_volume       363.15748
_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
  Sr1 Sr 0.04483 0.01257 0.00448 1.00000
  Sm1 Sm 0.51974 0.29959 0.33810 1.00000
  Sm2 Sm 0.71366 0.01249 0.66293 1.00000
  Sm3 Sm 0.15573 0.64170 0.40791 1.00000
  Sm4 Sm 0.86891 0.63597 0.97302 1.00000
  Sm5 Sm 0.21150 0.40119 0.05053 1.00000
  Sm6 Sm 0.36446 0.31138 0.65836 1.00000
  Sm7 Sm 0.34171 0.91724 0.30992 1.00000
  Sm8 Sm 0.52091 0.66938 0.70606 1.00000
  Co1 Co 0.11862 0.84723 0.68801 1.00000
  Co2 Co 0.89404 0.16004 0.44845 1.00000
  Co3 Co 0.75403 0.64214 0.20920 1.00000
  Co4 Co 0.99184 0.44908 0.54303 1.00000
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