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Mg3Zn2Ag7

Alexandria ALEX

Alex-ID: agm005604816 · Space group: I4/mmm (#139)

Basic Information

Formula
Mg3Zn2Ag7
Alex-ID
agm005604816
Elements
3
Sites
12
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
209.58
ų
Cell a
4.3476
Å
Cell b
4.3474
Å
Cell c
11.4654
Å
α angle
79.70
°
β angle
100.29
°
γ angle
89.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg3Zn2Ag7
Mg
3.00 · 25.0%
Zn
2.00 · 16.7%
Ag
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0085
eV/atom
Formation energy
-0.1480
eV/atom
Corrected total energy
-29.0754
eV
Raw total energy
-29.0754
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6651
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_163_spg69

Decomposition

MgZn2Ag3 Mg2ZnAg3 MgAg3

Computed at

2023-06-14 11:54:15.139938

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: agm005604816).

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 agm005604816
data_agm005604816
_cell_length_a     4.34760
_cell_length_b     4.34743
_cell_length_c     11.46541
_cell_angle_alpha  79.70155
_cell_angle_beta   100.29446
_cell_angle_gamma  89.40132
_cell_volume       209.58155
_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 1.00000 1.00000
  Mg2 Mg 0.33207 0.66797 0.66282 1.00000
  Mg3 Mg 0.66793 0.33203 0.33718 1.00000
  Zn1 Zn 0.16773 0.83230 0.33593 1.00000
  Zn2 Zn 0.83227 0.16770 0.66407 1.00000
  Ag1 Ag 0.58782 0.91260 0.17501 1.00000
  Ag2 Ag 0.24912 0.24915 0.49999 1.00000
  Ag3 Ag 1.00000 0.00000 1.00000 1.00000
  Ag4 Ag 0.41218 0.08740 0.82499 1.00000
  Ag5 Ag 0.91262 0.58777 0.82499 1.00000
  Ag6 Ag 0.08738 0.41223 0.17500 1.00000
  Ag7 Ag 0.75088 0.75085 0.50001 1.00000
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