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SrMgCd5Ag2

Alexandria ALEX

Alex-ID: agm005170369 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
SrMgCd5Ag2
Alex-ID
agm005170369
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
230.21
ų
Cell a
5.3075
Å
Cell b
5.3075
Å
Cell c
8.1723
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrMgCd5Ag2
Sr
1.00 · 11.1%
Mg
1.00 · 11.1%
Cd
5.00 · 55.6%
Ag
2.00 · 22.2%

Energy & Stability

Energy above hull
0.2185
eV/atom
Formation energy
0.0000
eV/atom
Corrected total energy
-13.6040
eV
Raw total energy
-13.6040
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9780
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_196_spg123

Decomposition

SrCd3Ag2 Sr3Cd11 Mg2CdAg3 SrCd9Ag2

Computed at

2023-01-16 06:49:42.630851

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: agm005170369).

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 agm005170369
data_agm005170369
_cell_length_a     5.30749
_cell_length_b     5.30749
_cell_length_c     8.17230
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       230.20943
_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
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.00000 0.50000 0.22813 1.00000
  Cd2 Cd 0.50000 0.00000 0.22813 1.00000
  Cd3 Cd 0.00000 0.50000 0.77187 1.00000
  Cd4 Cd 0.50000 0.00000 0.77187 1.00000
  Cd5 Cd 0.50000 0.50000 0.50000 1.00000
  Ag1 Ag 0.50000 0.50000 0.16234 1.00000
  Ag2 Ag 0.50000 0.50000 0.83766 1.00000
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