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Mg3Cd2Ag7

Alexandria ALEX

Alex-ID: agm005603979 · Space group: Fmmm (#69)

Basic Information

Formula
Mg3Cd2Ag7
Alex-ID
agm005603979
Elements
3
Sites
12
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
223.22
ų
Cell a
4.7562
Å
Cell b
4.7563
Å
Cell c
10.4947
Å
α angle
104.15
°
β angle
104.14
°
γ angle
85.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg3Cd2Ag7
Mg
3.00 · 25.0%
Cd
2.00 · 16.7%
Ag
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0110
eV/atom
Formation energy
-0.1521
eV/atom
Corrected total energy
-28.4145
eV
Raw total energy
-28.4145
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4351
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_163_spg69

Decomposition

MgCd2Ag3 MgAg3 Mg2CdAg3

Computed at

2023-06-13 12:21:44.316929

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: agm005603979).

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 agm005603979
data_agm005603979
_cell_length_a     4.75620
_cell_length_b     4.75633
_cell_length_c     10.49471
_cell_angle_alpha  104.14565
_cell_angle_beta   104.14154
_cell_angle_gamma  85.96309
_cell_volume       223.22225
_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 0.50000 0.50000 0.00000 1.00000
  Mg2 Mg 0.16423 0.16434 0.32720 1.00000
  Mg3 Mg 0.83577 0.83566 0.67280 1.00000
  Cd1 Cd 0.66521 0.66519 0.33216 1.00000
  Cd2 Cd 0.33479 0.33481 0.66784 1.00000
  Ag1 Ag 0.75074 0.24923 0.50000 1.00000
  Ag2 Ag 0.24926 0.75077 0.50000 1.00000
  Ag3 Ag 0.08059 0.58253 0.16317 1.00000
  Ag4 Ag 0.00000 0.00000 0.00000 1.00000
  Ag5 Ag 0.91941 0.41747 0.83683 1.00000
  Ag6 Ag 0.41753 0.91938 0.83683 1.00000
  Ag7 Ag 0.58247 0.08062 0.16317 1.00000
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