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Cd2Ag7

Alexandria ALEX

Alex-ID: agm007787399 · Space group: C2/m (#12)

Basic Information

Formula
Cd2Ag7
Alex-ID
agm007787399
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
166.51
ų
Cell a
5.0946
Å
Cell b
5.0946
Å
Cell c
8.6899
Å
α angle
74.26
°
β angle
74.26
°
γ angle
50.71
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd2Ag7
Cd
2.00 · 22.2%
Ag
7.00 · 77.8%

Energy & Stability

Energy above hull
0.0287
eV/atom
Formation energy
-0.0127
eV/atom
Corrected total energy
-21.9198
eV
Raw total energy
-21.9198
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7669
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_130_spg12

Decomposition

CdAg3 Ag

Computed at

2024-05-01 13:34:56.207472

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: agm007787399).

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 agm007787399
data_agm007787399
_cell_length_a     5.09460
_cell_length_b     5.09460
_cell_length_c     8.68988
_cell_angle_alpha  74.25638
_cell_angle_beta   74.25638
_cell_angle_gamma  50.71356
_cell_volume       166.51456
_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
  Cd1 Cd 0.34043 0.34043 0.88175 1.00000
  Cd2 Cd 0.65957 0.65957 0.11825 1.00000
  Ag1 Ag 0.32793 0.32793 0.22424 1.00000
  Ag2 Ag 0.67207 0.67207 0.77576 1.00000
  Ag3 Ag 0.33454 0.33454 0.55278 1.00000
  Ag4 Ag 0.66546 0.66546 0.44722 1.00000
  Ag5 Ag 0.99435 0.99435 0.33705 1.00000
  Ag6 Ag 0.00565 0.00565 0.66295 1.00000
  Ag7 Ag 0.00000 0.00000 0.00000 1.00000
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