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Ac(Sm2Co)4

Alexandria ALEX

Alex-ID: agm097777964 · Space group: Pm (#6)

Basic Information

Formula
Ac(Sm2Co)4
Alex-ID
agm097777964
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
348.46
ų
Cell a
3.7310
Å
Cell b
10.3898
Å
Cell c
10.0153
Å
α angle
63.84
°
β angle
90.01
°
γ angle
90.03
°

Composition

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

Energy & Stability

Energy above hull
0.0565
eV/atom
Formation energy
-0.0408
eV/atom
Corrected total energy
-70.9222
eV
Raw total energy
-70.9222
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7892
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C8_786_spg8

Decomposition

Sm5Co2 SmCo Ac

Computed at

2025-06-13 00:55:27

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: agm097777964).

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 agm097777964
data_agm097777964
_cell_length_a     3.73096
_cell_length_b     10.38983
_cell_length_c     10.01533
_cell_angle_alpha  63.83752
_cell_angle_beta   90.00809
_cell_angle_gamma  90.03483
_cell_volume       348.45857
_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
  Ac1 Ac 0.73212 0.01538 0.00475 1.00000
  Sm1 Sm 0.23108 0.07966 0.30754 1.00000
  Sm2 Sm 0.73075 0.67695 0.01010 1.00000
  Sm3 Sm 0.23079 0.69368 0.68103 1.00000
  Sm4 Sm 0.23051 0.33353 0.67674 1.00000
  Sm5 Sm 0.23083 0.70631 0.33406 1.00000
  Sm6 Sm 0.72993 0.38264 0.34955 1.00000
  Sm7 Sm 0.72962 0.36747 0.97951 1.00000
  Sm8 Sm 0.73159 0.00736 0.64555 1.00000
  Co1 Co 0.23127 0.89349 0.86722 1.00000
  Co2 Co 0.23005 0.44026 0.13166 1.00000
  Co3 Co 0.73039 0.54830 0.56041 1.00000
  Co4 Co 0.73105 0.85495 0.45187 1.00000
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