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Mg5Ag4Au

Alexandria ALEX

Alex-ID: agm063594080 · Space group: C2/m (#12)

Basic Information

Formula
Mg5Ag4Au
Alex-ID
agm063594080
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
184.02
ų
Cell a
7.5172
Å
Cell b
7.5172
Å
Cell c
5.7383
Å
α angle
74.39
°
β angle
105.61
°
γ angle
143.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg5Ag4Au
Mg
5.00 · 50.0%
Ag
4.00 · 40.0%
Au
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0059
eV/atom
Formation energy
-0.3211
eV/atom
Corrected total energy
-25.8665
eV
Raw total energy
-25.8665
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5816
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_288_spg12

Decomposition

Mg3Ag2Au MgAg

Computed at

2024-12-05 10:58:34

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: agm063594080).

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 agm063594080
data_agm063594080
_cell_length_a     7.51723
_cell_length_b     7.51723
_cell_length_c     5.73830
_cell_angle_alpha  74.38807
_cell_angle_beta   105.61193
_cell_angle_gamma  143.72076
_cell_volume       184.01907
_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 0.59740 0.40260 0.90563 1.00000
  Mg2 Mg 0.19704 0.80296 0.29434 1.00000
  Mg3 Mg 0.80296 0.19704 0.70566 1.00000
  Mg4 Mg 0.40260 0.59740 0.09437 1.00000
  Mg5 Mg 0.00000 0.00000 0.50000 1.00000
  Ag1 Ag 0.60294 0.39706 0.41442 1.00000
  Ag2 Ag 0.20160 0.79840 0.79677 1.00000
  Ag3 Ag 0.79840 0.20160 0.20323 1.00000
  Ag4 Ag 0.39706 0.60294 0.58558 1.00000
  Au1 Au 0.00000 0.00000 0.00000 1.00000
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