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Ac8CdCo6

Alexandria ALEX

Alex-ID: agm072018737 · Space group: R-3 (#148)

Basic Information

Formula
Ac8CdCo6
Alex-ID
agm072018737
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
455.82
ų
Cell a
7.6961
Å
Cell b
7.6961
Å
Cell c
7.6961
Å
α angle
89.75
°
β angle
89.75
°
γ angle
89.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8CdCo6
Ac
8.00 · 53.3%
Cd
1.00 · 6.7%
Co
6.00 · 40.0%

Energy & Stability

Energy above hull
0.1210
eV/atom
Formation energy
0.0402
eV/atom
Corrected total energy
-75.9300
eV
Raw total energy
-75.9300
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.7409
Total magnetisation
3.7002
μB

Additional Information

Prototype ID

AB6C8_3_spg148

Decomposition

Ac3Co AcCd AcCo

Computed at

2024-10-05 19:27:31.640441

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: agm072018737).

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 agm072018737
data_agm072018737
_cell_length_a     7.69606
_cell_length_b     7.69606
_cell_length_c     7.69606
_cell_angle_alpha  89.75003
_cell_angle_beta   89.75003
_cell_angle_gamma  89.75003
_cell_volume       455.81897
_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 0.24320 0.24320 0.24320 1.00000
  Ac2 Ac 0.75680 0.75680 0.75680 1.00000
  Ac3 Ac 0.10389 0.38346 0.73035 1.00000
  Ac4 Ac 0.73035 0.10389 0.38346 1.00000
  Ac5 Ac 0.38346 0.73035 0.10389 1.00000
  Ac6 Ac 0.89611 0.61654 0.26965 1.00000
  Ac7 Ac 0.26965 0.89611 0.61654 1.00000
  Ac8 Ac 0.61654 0.26965 0.89611 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.55473 0.43192 0.28993 1.00000
  Co2 Co 0.28993 0.55473 0.43192 1.00000
  Co3 Co 0.43192 0.28993 0.55473 1.00000
  Co4 Co 0.44527 0.56808 0.71007 1.00000
  Co5 Co 0.71007 0.44527 0.56808 1.00000
  Co6 Co 0.56808 0.71007 0.44527 1.00000
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