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Sm2Co

Alexandria ALEX

Alex-ID: agm014282836 · Space group: C2/m (#12)

Basic Information

Formula
Sm2Co
Alex-ID
agm014282836
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.23
ų
Cell a
7.2545
Å
Cell b
7.2545
Å
Cell c
5.9750
Å
α angle
80.78
°
β angle
99.22
°
γ angle
149.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2Co
Sm
4.00 · 66.7%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0290
eV/atom
Formation energy
-0.0764
eV/atom
Corrected total energy
-33.6003
eV
Raw total energy
-33.6003
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0338
eV
DOS at Fermi level
7.9811
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

AB2_913_spg12

Decomposition

Sm5Co2 SmCo

Computed at

2025-04-15 00:17:20

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: agm014282836).

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 agm014282836
data_agm014282836
_cell_length_a     7.25455
_cell_length_b     7.25455
_cell_length_c     5.97498
_cell_angle_alpha  80.77821
_cell_angle_beta   99.22179
_cell_angle_gamma  149.74729
_cell_volume       156.22822
_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 0.84123 0.15877 0.68306 1.00000
  Sm2 Sm 0.15877 0.84123 0.31694 1.00000
  Sm3 Sm 0.58450 0.41550 0.78196 1.00000
  Sm4 Sm 0.41550 0.58450 0.21804 1.00000
  Co1 Co 0.23453 0.76547 0.87325 1.00000
  Co2 Co 0.76547 0.23453 0.12675 1.00000
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