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Ac2CdAg9

Alexandria ALEX

Alex-ID: agm003537802 · Space group: R-3m (#166)

Basic Information

Formula
Ac2CdAg9
Alex-ID
agm003537802
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
274.03
ų
Cell a
5.8108
Å
Cell b
5.8108
Å
Cell c
9.9535
Å
α angle
73.03
°
β angle
73.03
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2CdAg9
Ac
2.00 · 16.7%
Cd
1.00 · 8.3%
Ag
9.00 · 75.0%

Energy & Stability

Energy above hull
0.1401
eV/atom
Formation energy
-0.0620
eV/atom
Corrected total energy
-35.5459
eV
Raw total energy
-35.5459
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6599
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_0_spg166

Decomposition

AcCdAg5 AcAg3 AcAg6

Computed at

2022-03-18 18:06:51.772364

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: agm003537802).

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 agm003537802
data_agm003537802
_cell_length_a     5.81084
_cell_length_b     5.81084
_cell_length_c     9.95352
_cell_angle_alpha  73.02834
_cell_angle_beta   73.02834
_cell_angle_gamma  60.00000
_cell_volume       274.02972
_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 0.86565 0.86565 0.40304 1.00000
  Ac2 Ac 0.13435 0.13435 0.59696 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.66679 0.66679 0.99963 1.00000
  Ag2 Ag 0.33321 0.33321 0.00037 1.00000
  Ag3 Ag 0.50000 0.50000 0.50000 1.00000
  Ag4 Ag 0.41694 0.41694 0.24504 1.00000
  Ag5 Ag 0.92109 0.41694 0.24504 1.00000
  Ag6 Ag 0.41694 0.92109 0.24504 1.00000
  Ag7 Ag 0.58306 0.58306 0.75496 1.00000
  Ag8 Ag 0.58306 0.07891 0.75496 1.00000
  Ag9 Ag 0.07891 0.58306 0.75496 1.00000
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