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Mg4AgGe2

Alexandria ALEX

Alex-ID: agm096350237 · Space group: P2/m (#10)

Basic Information

Formula
Mg4AgGe2
Alex-ID
agm096350237
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
165.51
ų
Cell a
5.0068
Å
Cell b
4.3510
Å
Cell c
7.6157
Å
α angle
90.00
°
β angle
93.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg4AgGe2
Mg
4.00 · 57.1%
Ag
1.00 · 14.3%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2336
eV/atom
Formation energy
-0.0134
eV/atom
Corrected total energy
-18.5581
eV
Raw total energy
-18.5581
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2680
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_179_spg10

Decomposition

MgAg3 Ge Mg2Ge

Computed at

2025-04-10 21:44:19

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: agm096350237).

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 agm096350237
data_agm096350237
_cell_length_a     5.00680
_cell_length_b     4.35103
_cell_length_c     7.61575
_cell_angle_alpha  90.00000
_cell_angle_beta   93.95043
_cell_angle_gamma  90.00000
_cell_volume       165.51301
_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 0.77085 0.50000 0.80667 1.00000
  Mg2 Mg 0.78266 0.00000 0.34152 1.00000
  Mg3 Mg 0.21948 0.00000 0.66172 1.00000
  Mg4 Mg 0.22413 0.50000 0.18874 1.00000
  Ag1 Ag 0.49837 0.00000 0.00228 1.00000
  Ge1 Ge 0.99729 0.00000 0.99883 1.00000
  Ge2 Ge 0.00722 0.50000 0.50025 1.00000
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