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GdInCo

Alexandria ALEX

Alex-ID: agm002265090 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
GdInCo
Alex-ID
agm002265090
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
184.05
ų
Cell a
3.8942
Å
Cell b
7.3874
Å
Cell c
7.3874
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
GdInCo
Gd
3.00 · 33.3%
Co
3.00 · 33.3%
In
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0503
eV/atom
Formation energy
-0.2730
eV/atom
Corrected total energy
-74.3796
eV
Raw total energy
-74.3796
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0119
eV
DOS at Fermi level
7.8810
Total magnetisation
-20.9666
μB

Additional Information

Prototype ID

ABC_11_spg189

Decomposition

Gd2InCo2 GdIn3 Co

Computed at

2018-12-29 09:05:31

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: agm002265090).

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 agm002265090
data_agm002265090
_cell_length_a     3.89418
_cell_length_b     7.38743
_cell_length_c     7.38743
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       184.04897
_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 0.59009 0.00000 1.00000
  Gd2 Gd 0.50000 0.00000 0.59009 1.00000
  Gd3 Gd 0.50000 0.40991 0.40991 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.66667 0.33333 1.00000
  Co3 Co 0.00000 0.33333 0.66667 1.00000
  In1 In 0.00000 1.00000 0.25172 1.00000
  In2 In 0.00000 0.74828 0.74828 1.00000
  In3 In 0.00000 0.25172 1.00000 1.00000
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