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Sm2Ho5Co3

Alexandria ALEX

Alex-ID: agm012313640 · Space group: Cmc2_1 (#36)

Alexandria Database API

Basic Information

Formula
Sm2Ho5Co3
Alex-ID
agm012313640
Elements
3
Sites
20
Space group
Cmc2_1 (#36)
Crystal system
orthorhombic
Volume
491.28
ų
Cell a
15.2879
Å
Cell b
15.2879
Å
Cell c
8.8376
Å
α angle
90.00
°
β angle
90.00
°
γ angle
166.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2Ho5Co3
Sm
4.00 · 20.0%
Ho
10.00 · 50.0%
Co
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0631
eV/atom
Formation energy
-0.1006
eV/atom
Corrected total energy
-109.4340
eV
Raw total energy
-109.4340
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0152
eV
DOS at Fermi level
21.7824
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B3C5_16_spg36

Decomposition

Ho5Co2 Sm5Co2 HoCo

Computed at

2024-05-28 22:30:28.188275

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: agm012313640).

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 agm012313640
data_agm012313640
_cell_length_a     15.28792
_cell_length_b     15.28792
_cell_length_c     8.83760
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  166.24043
_cell_volume       491.28191
_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 0.01974 0.98026 0.22816 1.00000
  Sm2 Sm 0.32583 0.67417 0.30719 1.00000
  Sm3 Sm 0.67417 0.32583 0.80719 1.00000
  Sm4 Sm 0.98026 0.01974 0.72816 1.00000
  Ho1 Ho 0.08505 0.91495 0.56319 1.00000
  Ho2 Ho 0.20105 0.79895 0.47057 1.00000
  Ho3 Ho 0.79895 0.20105 0.97057 1.00000
  Ho4 Ho 0.37511 0.62489 0.73944 1.00000
  Ho5 Ho 0.21416 0.78584 0.10693 1.00000
  Ho6 Ho 0.56396 0.43604 0.90962 1.00000
  Ho7 Ho 0.78584 0.21416 0.60693 1.00000
  Ho8 Ho 0.62489 0.37511 0.23944 1.00000
  Ho9 Ho 0.43604 0.56396 0.40962 1.00000
  Ho10 Ho 0.91495 0.08505 0.06319 1.00000
  Co1 Co 0.74857 0.25143 0.30417 1.00000
  Co2 Co 0.87438 0.12562 0.50769 1.00000
  Co3 Co 0.47776 0.52224 0.99824 1.00000
  Co4 Co 0.25143 0.74857 0.80417 1.00000
  Co5 Co 0.52224 0.47776 0.49824 1.00000
  Co6 Co 0.12562 0.87438 0.00769 1.00000
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