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Sm6HoCo8

Alexandria ALEX

Alex-ID: agm072827941 · Space group: R-3 (#148)

Basic Information

Formula
Sm6HoCo8
Alex-ID
agm072827941
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
306.24
ų
Cell a
7.1351
Å
Cell b
7.1351
Å
Cell c
7.1351
Å
α angle
106.54
°
β angle
106.54
°
γ angle
106.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm6HoCo8
Sm
6.00 · 40.0%
Ho
1.00 · 6.7%
Co
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1313
eV/atom
Formation energy
-0.0155
eV/atom
Corrected total energy
-90.1427
eV
Raw total energy
-90.1427
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0081
eV
DOS at Fermi level
16.4136
Total magnetisation
4.8599
μB

Additional Information

Prototype ID

AB6C8_75_spg148

Decomposition

HoCo2 SmCo

Computed at

2024-10-05 20:15:27.224343

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: agm072827941).

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 agm072827941
data_agm072827941
_cell_length_a     7.13515
_cell_length_b     7.13515
_cell_length_c     7.13515
_cell_angle_alpha  106.53996
_cell_angle_beta   106.53996
_cell_angle_gamma  106.53996
_cell_volume       306.23717
_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 0.65879 0.27699 0.16373 1.00000
  Sm2 Sm 0.16373 0.65879 0.27699 1.00000
  Sm3 Sm 0.27699 0.16373 0.65879 1.00000
  Sm4 Sm 0.34121 0.72301 0.83627 1.00000
  Sm5 Sm 0.83627 0.34121 0.72301 1.00000
  Sm6 Sm 0.72301 0.83627 0.34121 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.35689 0.35689 0.35689 1.00000
  Co2 Co 0.64311 0.64311 0.64311 1.00000
  Co3 Co 0.34043 0.42475 0.05270 1.00000
  Co4 Co 0.05270 0.34043 0.42475 1.00000
  Co5 Co 0.42475 0.05270 0.34043 1.00000
  Co6 Co 0.65957 0.57525 0.94730 1.00000
  Co7 Co 0.94730 0.65957 0.57525 1.00000
  Co8 Co 0.57525 0.94730 0.65957 1.00000
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