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LaSm4Co

Alexandria ALEX

Alex-ID: agm005845697 · Space group: C2/m (#12)

Basic Information

Formula
LaSm4Co
Alex-ID
agm005845697
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
178.85
ų
Cell a
6.3137
Å
Cell b
3.6698
Å
Cell c
8.8994
Å
α angle
77.62
°
β angle
106.76
°
γ angle
73.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaSm4Co
La
1.00 · 16.7%
Sm
4.00 · 66.7%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0876
eV/atom
Formation energy
0.0202
eV/atom
Corrected total energy
-30.8244
eV
Raw total energy
-30.8244
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0312
eV
DOS at Fermi level
7.8605
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1592_spg12

Decomposition

LaSm2Co Sm

Computed at

2023-07-28 03:03:25.667351

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: agm005845697).

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 agm005845697
data_agm005845697
_cell_length_a     6.31372
_cell_length_b     3.66980
_cell_length_c     8.89941
_cell_angle_alpha  77.62218
_cell_angle_beta   106.76305
_cell_angle_gamma  73.25944
_cell_volume       178.84633
_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
  La1 La 0.00000 0.00000 0.00000 1.00000
  Sm1 Sm 0.54973 0.11903 0.19861 1.00000
  Sm2 Sm 0.14115 0.23655 0.38401 1.00000
  Sm3 Sm 0.85885 0.76345 0.61599 1.00000
  Sm4 Sm 0.45027 0.88097 0.80139 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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