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Dy5(CoB3)2

Alexandria ALEX

Alex-ID: agm005269733 · Space group: R-3m (#166)

Basic Information

Formula
Dy5(CoB3)2
Alex-ID
agm005269733
Elements
3
Sites
13
Space group
R-3m (#166)
Crystal system
trigonal
Volume
195.97
ų
Cell a
8.3657
Å
Cell b
8.3657
Å
Cell c
8.3657
Å
α angle
37.65
°
β angle
37.65
°
γ angle
37.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(CoB3)2
Dy
5.00 · 38.5%
Co
2.00 · 15.4%
B
6.00 · 46.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5309
eV/atom
Corrected total energy
-84.2331
eV
Raw total energy
-84.2331
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2364
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C6_12_spg166

Decomposition

Dy5(CoB3)2

Computed at

2023-05-06 12:43:45.776792

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: agm005269733).

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 agm005269733
data_agm005269733
_cell_length_a     8.36572
_cell_length_b     8.36572
_cell_length_c     8.36572
_cell_angle_alpha  37.65024
_cell_angle_beta   37.65024
_cell_angle_gamma  37.65024
_cell_volume       195.97073
_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
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.74872 0.74872 0.74872 1.00000
  Dy3 Dy 0.25128 0.25128 0.25128 1.00000
  Dy4 Dy 0.58358 0.58358 0.58358 1.00000
  Dy5 Dy 0.41642 0.41642 0.41642 1.00000
  Co1 Co 0.88048 0.88048 0.88048 1.00000
  Co2 Co 0.11952 0.11952 0.11952 1.00000
  B1 B 0.83162 0.50000 0.16838 1.00000
  B2 B 0.16838 0.83162 0.50000 1.00000
  B3 B 0.50000 0.16838 0.83162 1.00000
  B4 B 0.83162 0.16838 0.50000 1.00000
  B5 B 0.50000 0.83162 0.16838 1.00000
  B6 B 0.16838 0.50000 0.83162 1.00000
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