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Ac6CdAg3

Alexandria ALEX

Alex-ID: agm006073374 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ac6CdAg3
Alex-ID
agm006073374
Elements
3
Sites
20
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
705.69
ų
Cell a
5.1591
Å
Cell b
10.8427
Å
Cell c
13.4676
Å
α angle
110.49
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac6CdAg3
Ac
12.00 · 60.0%
Cd
2.00 · 10.0%
Ag
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0576
eV/atom
Formation energy
-0.1619
eV/atom
Corrected total energy
-71.4934
eV
Raw total energy
-71.4934
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.8015
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB3C6_1024_spg11

Decomposition

Ac4CdAg3 Ac

Computed at

2023-09-07 03:14:50

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: agm006073374).

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 agm006073374
data_agm006073374
_cell_length_a     5.15908
_cell_length_b     10.84270
_cell_length_c     13.46762
_cell_angle_alpha  110.49100
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       705.68979
_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 0.25000 0.52171 0.11910 1.00000
  Ac2 Ac 0.75000 0.47829 0.88090 1.00000
  Ac3 Ac 0.25000 0.08782 0.12661 1.00000
  Ac4 Ac 0.75000 0.91218 0.87339 1.00000
  Ac5 Ac 0.25000 0.64131 0.73425 1.00000
  Ac6 Ac 0.75000 0.35869 0.26575 1.00000
  Ac7 Ac 0.25000 0.30849 0.46435 1.00000
  Ac8 Ac 0.75000 0.69151 0.53565 1.00000
  Ac9 Ac 0.25000 0.88143 0.38271 1.00000
  Ac10 Ac 0.75000 0.11857 0.61729 1.00000
  Ac11 Ac 0.25000 0.18058 0.86728 1.00000
  Ac12 Ac 0.75000 0.81942 0.13272 1.00000
  Cd1 Cd 0.25000 0.90539 0.65550 1.00000
  Cd2 Cd 0.75000 0.09461 0.34450 1.00000
  Ag1 Ag 0.25000 0.56226 0.37229 1.00000
  Ag2 Ag 0.75000 0.43774 0.62771 1.00000
  Ag3 Ag 0.25000 0.33526 0.70737 1.00000
  Ag4 Ag 0.75000 0.66474 0.29263 1.00000
  Ag5 Ag 0.25000 0.74418 0.98131 1.00000
  Ag6 Ag 0.75000 0.25582 0.01869 1.00000
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