Navigation

HEAS Data Platform · Materials Science Database

Ac6Dy8Co

Alexandria ALEX

Alex-ID: agm072338643 · Space group: R-3 (#148)

Basic Information

Formula
Ac6Dy8Co
Alex-ID
agm072338643
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
532.08
ų
Cell a
8.4461
Å
Cell b
8.4447
Å
Cell c
8.4463
Å
α angle
72.35
°
β angle
72.35
°
γ angle
72.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac6Dy8Co
Ac
6.00 · 40.0%
Dy
8.00 · 53.3%
Co
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0539
eV/atom
Formation energy
0.0121
eV/atom
Corrected total energy
-68.4230
eV
Raw total energy
-68.4230
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.5446
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

AB6C8_38_spg148

Decomposition

Dy3Co Ac Dy

Computed at

2024-10-05 21:13:37.089403

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: agm072338643).

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 agm072338643
data_agm072338643
_cell_length_a     8.44614
_cell_length_b     8.44472
_cell_length_c     8.44631
_cell_angle_alpha  72.35445
_cell_angle_beta   72.34678
_cell_angle_gamma  72.36389
_cell_volume       532.07675
_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 0.61278 0.45876 0.17576 1.00000
  Ac2 Ac 0.17561 0.61287 0.45888 1.00000
  Ac3 Ac 0.45859 0.17563 0.61296 1.00000
  Ac4 Ac 0.38722 0.54124 0.82424 1.00000
  Ac5 Ac 0.82439 0.38713 0.54112 1.00000
  Ac6 Ac 0.54141 0.82437 0.38704 1.00000
  Dy1 Dy 0.24585 0.24583 0.24576 1.00000
  Dy2 Dy 0.75415 0.75417 0.75424 1.00000
  Dy3 Dy 0.03569 0.32070 0.89896 1.00000
  Dy4 Dy 0.89882 0.03584 0.32081 1.00000
  Dy5 Dy 0.32077 0.89876 0.03587 1.00000
  Dy6 Dy 0.96431 0.67930 0.10104 1.00000
  Dy7 Dy 0.10118 0.96416 0.67919 1.00000
  Dy8 Dy 0.67923 0.10124 0.96413 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
Get direct link