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SrZn2Cd8Ag

Alexandria ALEX

Alex-ID: agm004885601 · Space group: C2/m (#12)

Basic Information

Formula
SrZn2Cd8Ag
Alex-ID
agm004885601
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
281.23
ų
Cell a
5.1935
Å
Cell b
5.1935
Å
Cell c
11.6096
Å
α angle
102.15
°
β angle
102.15
°
γ angle
68.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrZn2Cd8Ag
Sr
1.00 · 8.3%
Zn
2.00 · 16.7%
Cd
8.00 · 66.7%
Ag
1.00 · 8.3%

Energy & Stability

Energy above hull
0.1165
eV/atom
Formation energy
-0.0363
eV/atom
Corrected total energy
-14.9213
eV
Raw total energy
-14.9213
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4404
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D8_298_spg12

Decomposition

SrCd9Ag2 SrZn10Ag SrCd11

Computed at

2023-01-06 13:01:43.340155

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: agm004885601).

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 agm004885601
data_agm004885601
_cell_length_a     5.19355
_cell_length_b     5.19355
_cell_length_c     11.60962
_cell_angle_alpha  102.15156
_cell_angle_beta   102.15156
_cell_angle_gamma  68.21566
_cell_volume       281.22876
_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
  Sr1 Sr 0.00000 0.00000 0.50000 1.00000
  Zn1 Zn 0.61335 0.61335 0.40980 1.00000
  Zn2 Zn 0.38665 0.38665 0.59020 1.00000
  Cd1 Cd 0.77491 0.27615 0.79516 1.00000
  Cd2 Cd 0.67785 0.67785 0.04533 1.00000
  Cd3 Cd 0.73142 0.73142 0.65655 1.00000
  Cd4 Cd 0.26858 0.26858 0.34345 1.00000
  Cd5 Cd 0.32215 0.32215 0.95467 1.00000
  Cd6 Cd 0.27615 0.77491 0.79516 1.00000
  Cd7 Cd 0.72385 0.22509 0.20484 1.00000
  Cd8 Cd 0.22509 0.72385 0.20484 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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