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Mg2ZnCdAg4

Alexandria ALEX

Alex-ID: agm004771085 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Mg2ZnCdAg4
Alex-ID
agm004771085
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
144.11
ų
Cell a
4.6513
Å
Cell b
4.6719
Å
Cell c
8.0954
Å
α angle
73.68
°
β angle
73.30
°
γ angle
60.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg2ZnCdAg4
Mg
2.00 · 25.0%
Zn
1.00 · 12.5%
Cd
1.00 · 12.5%
Ag
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0053
eV/atom
Formation energy
-0.1543
eV/atom
Corrected total energy
-18.0305
eV
Raw total energy
-18.0305
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0132
eV
DOS at Fermi level
1.8751
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_337_spg166

Decomposition

MgCd2Ag3 MgZn2Ag3 Mg2CdAg3

Computed at

2022-07-17 02:45:48.973336

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: agm004771085).

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 agm004771085
data_agm004771085
_cell_length_a     4.65132
_cell_length_b     4.67188
_cell_length_c     8.09543
_cell_angle_alpha  73.67654
_cell_angle_beta   73.30480
_cell_angle_gamma  60.14551
_cell_volume       144.10812
_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
  Mg1 Mg 0.75026 0.75065 0.74883 1.00000
  Mg2 Mg 0.24974 0.24935 0.25117 1.00000
  Zn1 Zn 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.50000 0.50000 0.50000 1.00000
  Ag1 Ag 0.11980 0.12021 0.64020 1.00000
  Ag2 Ag 0.37200 0.37204 0.88395 1.00000
  Ag3 Ag 0.88020 0.87979 0.35980 1.00000
  Ag4 Ag 0.62800 0.62796 0.11605 1.00000
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