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Mg4Cd4Ag3

Alexandria ALEX

Alex-ID: agm005709170 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Mg4Cd4Ag3
Alex-ID
agm005709170
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
218.87
ų
Cell a
3.3485
Å
Cell b
3.7057
Å
Cell c
17.8115
Å
α angle
95.94
°
β angle
95.33
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg4Cd4Ag3
Mg
4.00 · 36.4%
Cd
4.00 · 36.4%
Ag
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0196
eV/atom
Formation energy
-0.1387
eV/atom
Corrected total energy
-20.1517
eV
Raw total energy
-20.1517
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6710
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_206_spg12

Decomposition

Mg3CdAg2 Cd MgAg

Computed at

2023-07-02 00:58:15.458555

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: agm005709170).

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 agm005709170
data_agm005709170
_cell_length_a     3.34853
_cell_length_b     3.70568
_cell_length_c     17.81152
_cell_angle_alpha  95.93675
_cell_angle_beta   95.32711
_cell_angle_gamma  89.97786
_cell_volume       218.87121
_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 0.54330 0.54325 0.08602 1.00000
  Mg2 Mg 0.45667 0.45677 0.91395 1.00000
  Mg3 Mg 0.82498 0.82357 0.64751 1.00000
  Mg4 Mg 0.17500 0.17647 0.35250 1.00000
  Cd1 Cd 0.09036 0.09024 0.18042 1.00000
  Cd2 Cd 0.27571 0.27522 0.55013 1.00000
  Cd3 Cd 0.72427 0.72482 0.44991 1.00000
  Cd4 Cd 0.90961 0.90978 0.81957 1.00000
  Ag1 Ag 0.63474 0.63573 0.27088 1.00000
  Ag2 Ag 0.36523 0.36430 0.72913 1.00000
  Ag3 Ag 0.99998 0.00000 0.99998 1.00000
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