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Ac5(CdCo)2

Alexandria ALEX

Alex-ID: agm005563006 · Space group: C2/m (#12)

Basic Information

Formula
Ac5(CdCo)2
Alex-ID
agm005563006
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
294.80
ų
Cell a
5.9599
Å
Cell b
5.7819
Å
Cell c
9.1249
Å
α angle
71.53
°
β angle
81.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac5(CdCo)2
Ac
5.00 · 55.6%
Cd
2.00 · 22.2%
Co
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0874
eV/atom
Formation energy
-0.0666
eV/atom
Corrected total energy
-37.2365
eV
Raw total energy
-37.2365
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4289
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_245_spg12

Decomposition

Ac3Co AcCd AcCo

Computed at

2023-06-02 13:56:25.417357

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: agm005563006).

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 agm005563006
data_agm005563006
_cell_length_a     5.95992
_cell_length_b     5.78192
_cell_length_c     9.12494
_cell_angle_alpha  71.52928
_cell_angle_beta   81.73882
_cell_angle_gamma  90.00000
_cell_volume       294.80286
_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 0.94855 0.66467 0.67065 1.00000
  Ac2 Ac 0.05145 0.33533 0.32935 1.00000
  Ac3 Ac 0.49263 0.83597 0.32805 1.00000
  Ac4 Ac 0.50737 0.16403 0.67195 1.00000
  Ac5 Ac 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.35518 0.55457 0.89087 1.00000
  Cd2 Cd 0.64482 0.44543 0.10913 1.00000
  Co1 Co 0.98492 0.83883 0.32234 1.00000
  Co2 Co 0.01508 0.16117 0.67766 1.00000
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