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Sm5Co2

Alexandria ALEX

Alex-ID: agm009200827 · Space group: C2/m (#12)

Basic Information

Formula
Sm5Co2
Alex-ID
agm009200827
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
186.00
ų
Cell a
6.3892
Å
Cell b
6.3892
Å
Cell c
9.0554
Å
α angle
65.27
°
β angle
65.27
°
γ angle
34.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Co2
Sm
5.00 · 71.4%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0160
eV/atom
Formation energy
-0.0823
eV/atom
Corrected total energy
-38.4411
eV
Raw total energy
-38.4411
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5209
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B5_8_spg2

Decomposition

Sm5Co2

Computed at

2024-05-09 13:11:51.592312

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: agm009200827).

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 agm009200827
data_agm009200827
_cell_length_a     6.38919
_cell_length_b     6.38919
_cell_length_c     9.05535
_cell_angle_alpha  65.26753
_cell_angle_beta   65.26753
_cell_angle_gamma  34.02705
_cell_volume       186.00342
_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 0.82685 0.82685 0.80491 1.00000
  Sm2 Sm 0.17315 0.17315 0.19509 1.00000
  Sm3 Sm 0.50000 0.50000 0.00000 1.00000
  Sm4 Sm 0.61706 0.61706 0.57626 1.00000
  Sm5 Sm 0.38294 0.38294 0.42374 1.00000
  Co1 Co 0.81960 0.81960 0.24434 1.00000
  Co2 Co 0.18040 0.18040 0.75566 1.00000
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