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Ac8Co2Ag3

Alexandria ALEX

Alex-ID: agm005646898 · Space group: C2/m (#12)

Basic Information

Formula
Ac8Co2Ag3
Alex-ID
agm005646898
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
437.98
ų
Cell a
6.9302
Å
Cell b
7.7836
Å
Cell c
9.1256
Å
α angle
115.24
°
β angle
99.36
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Co2Ag3
Ac
8.00 · 61.5%
Co
2.00 · 15.4%
Ag
3.00 · 23.1%

Energy & Stability

Energy above hull
0.0866
eV/atom
Formation energy
-0.0577
eV/atom
Corrected total energy
-56.4190
eV
Raw total energy
-56.4190
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2964
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_144_spg12

Decomposition

Ac5CoAg2 AcCo

Computed at

2023-06-15 16:58:48.169396

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: agm005646898).

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 agm005646898
data_agm005646898
_cell_length_a     6.93019
_cell_length_b     7.78356
_cell_length_c     9.12560
_cell_angle_alpha  115.24365
_cell_angle_beta   99.36429
_cell_angle_gamma  90.00000
_cell_volume       437.97669
_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 0.19546 0.41923 0.83846 1.00000
  Ac2 Ac 0.80454 0.58077 0.16154 1.00000
  Ac3 Ac 0.10165 0.81289 0.62577 1.00000
  Ac4 Ac 0.89835 0.18711 0.37423 1.00000
  Ac5 Ac 0.36902 0.89522 0.28713 1.00000
  Ac6 Ac 0.36902 0.39190 0.28713 1.00000
  Ac7 Ac 0.63098 0.60810 0.71287 1.00000
  Ac8 Ac 0.63098 0.10478 0.71287 1.00000
  Co1 Co 0.66784 0.73219 0.46438 1.00000
  Co2 Co 0.33216 0.26781 0.53562 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.17431 1.00000 1.00000
  Ag3 Ag 1.00000 0.82569 0.00000 1.00000
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