Navigation

HEAS Data Platform · Materials Science Database

MgCdAg4

Alexandria ALEX

Alex-ID: agm069645285 · Space group: C2/m (#12)

Basic Information

Formula
MgCdAg4
Alex-ID
agm069645285
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
110.83
ų
Cell a
5.2004
Å
Cell b
5.2004
Å
Cell c
6.0016
Å
α angle
71.38
°
β angle
108.62
°
γ angle
133.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
MgCdAg4
Mg
1.00 · 16.7%
Cd
1.00 · 16.7%
Ag
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0146
eV/atom
Formation energy
-0.1119
eV/atom
Corrected total energy
-14.5946
eV
Raw total energy
-14.5946
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0101
eV
DOS at Fermi level
1.1588
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_684_spg1

Decomposition

MgAg3 CdAg

Computed at

2025-04-15 01:44:47

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: agm069645285).

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 agm069645285
data_agm069645285
_cell_length_a     5.20039
_cell_length_b     5.20039
_cell_length_c     6.00158
_cell_angle_alpha  71.37923
_cell_angle_beta   108.62077
_cell_angle_gamma  133.25284
_cell_volume       110.83198
_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 0.00000 0.00000 0.50000 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.33481 0.66519 0.17024 1.00000
  Ag2 Ag 0.33275 0.66725 0.66306 1.00000
  Ag3 Ag 0.66519 0.33481 0.82976 1.00000
  Ag4 Ag 0.66725 0.33275 0.33694 1.00000
Get direct link