Navigation

HEAS Data Platform · Materials Science Database

Mg(InGe)2

Alexandria ALEX

Alex-ID: agm002995083 · Space group: P4/mbm (#127)

Basic Information

Formula
Mg(InGe)2
Alex-ID
agm002995083
Elements
3
Sites
10
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
232.45
ų
Cell a
7.1582
Å
Cell b
7.1582
Å
Cell c
4.5365
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg(InGe)2
Ge
4.00 · 40.0%
Mg
2.00 · 20.0%
In
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1570
eV/atom
Formation energy
0.0746
eV/atom
Corrected total energy
-31.9915
eV
Raw total energy
-31.9915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.3275
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_3_spg127

Decomposition

Ge In Mg2Ge

Computed at

2016-12-25 13:31:48

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: agm002995083).

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 agm002995083
data_agm002995083
_cell_length_a     7.15822
_cell_length_b     7.15822
_cell_length_c     4.53646
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       232.44834
_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
  Ge1 Ge 0.37254 0.87254 0.00000 1.00000
  Ge2 Ge 0.87254 0.62746 0.00000 1.00000
  Ge3 Ge 0.62746 0.12746 0.00000 1.00000
  Ge4 Ge 0.12746 0.37254 0.00000 1.00000
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Mg2 Mg 0.50000 0.50000 0.00000 1.00000
  In1 In 0.17912 0.67912 0.50000 1.00000
  In2 In 0.67912 0.82088 0.50000 1.00000
  In3 In 0.82088 0.32088 0.50000 1.00000
  In4 In 0.32088 0.17912 0.50000 1.00000
Get direct link