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Mg2Ga2Co2Ge

Alexandria ALEX

Alex-ID: agm024522546 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Mg2Ga2Co2Ge
Alex-ID
agm024522546
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
109.26
ų
Cell a
5.0769
Å
Cell b
5.0769
Å
Cell c
6.8281
Å
α angle
66.65
°
β angle
113.35
°
γ angle
136.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg2Ga2Co2Ge
Mg
2.00 · 28.6%
Ga
2.00 · 28.6%
Co
2.00 · 28.6%
Ge
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0242
eV/atom
Formation energy
-0.2480
eV/atom
Corrected total energy
-29.8484
eV
Raw total energy
-29.8484
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0439
eV
DOS at Fermi level
3.5723
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

GaCo Mg2Ge

Computed at

2025-04-18 12:26:07

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: agm024522546).

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 agm024522546
data_agm024522546
_cell_length_a     5.07693
_cell_length_b     5.07693
_cell_length_c     6.82814
_cell_angle_alpha  66.65243
_cell_angle_beta   113.34757
_cell_angle_gamma  136.65980
_cell_volume       109.25771
_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 0.65174 0.34826 0.79224 1.00000
  Mg2 Mg 0.34826 0.65174 0.20776 1.00000
  Ga1 Ga 0.86194 0.13806 0.54399 1.00000
  Ga2 Ga 0.13806 0.86194 0.45601 1.00000
  Co1 Co 0.62539 0.37461 0.19569 1.00000
  Co2 Co 0.37461 0.62539 0.80431 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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