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AcMg2(GeAu)2

Alexandria ALEX

Alex-ID: agm024430079 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
AcMg2(GeAu)2
Alex-ID
agm024430079
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
156.61
ų
Cell a
9.3744
Å
Cell b
9.3744
Å
Cell c
9.3744
Å
α angle
27.65
°
β angle
27.65
°
γ angle
27.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcMg2(GeAu)2
Ac
1.00 · 14.3%
Mg
2.00 · 28.6%
Ge
2.00 · 28.6%
Au
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0342
eV/atom
Formation energy
-0.5869
eV/atom
Corrected total energy
-27.1952
eV
Raw total energy
-27.1952
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.3890
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_74_spg12

Decomposition

AcGe2 MgAu

Computed at

2024-12-11 01:34:25

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: agm024430079).

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 agm024430079
data_agm024430079
_cell_length_a     9.37437
_cell_length_b     9.37437
_cell_length_c     9.37437
_cell_angle_alpha  27.64850
_cell_angle_beta   27.64850
_cell_angle_gamma  27.64850
_cell_volume       156.60923
_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
  Ac1 Ac 0.00000 0.00000 0.00000 1.00000
  Mg1 Mg 0.86514 0.86514 0.86514 1.00000
  Mg2 Mg 0.13486 0.13486 0.13486 1.00000
  Ge1 Ge 0.40744 0.40744 0.40744 1.00000
  Ge2 Ge 0.59256 0.59256 0.59256 1.00000
  Au1 Au 0.23933 0.23933 0.23933 1.00000
  Au2 Au 0.76067 0.76067 0.76067 1.00000
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