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GdGaCo

Alexandria ALEX

Alex-ID: agm002263751 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
GdGaCo
Alex-ID
agm002263751
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
161.44
ų
Cell a
3.8382
Å
Cell b
6.9691
Å
Cell c
6.9691
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
GdGaCo
Gd
3.00 · 33.3%
Co
3.00 · 33.3%
Ga
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0220
eV/atom
Formation energy
-0.4379
eV/atom
Corrected total energy
-76.6432
eV
Raw total energy
-76.6432
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.5084
Total magnetisation
20.9805
μB

Additional Information

Prototype ID

ABC_250_spg189

Decomposition

GdGaCo

Computed at

2018-12-11 09:23:41

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: agm002263751).

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 agm002263751
data_agm002263751
_cell_length_a     3.83817
_cell_length_b     6.96910
_cell_length_c     6.96910
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       161.43870
_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
  Gd1 Gd 0.50000 0.00000 0.58641 1.00000
  Gd2 Gd 0.50000 0.58641 0.00000 1.00000
  Gd3 Gd 0.50000 0.41359 0.41359 1.00000
  Co1 Co 0.00000 0.33333 0.66667 1.00000
  Co2 Co 0.00000 0.66667 0.33333 1.00000
  Co3 Co 0.50000 0.00000 0.00000 1.00000
  Ga1 Ga 0.00000 0.75740 0.75740 1.00000
  Ga2 Ga 0.00000 0.24260 0.00000 1.00000
  Ga3 Ga 0.00000 0.00000 0.24260 1.00000
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