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EuGa3Co2

Alexandria ALEX

Alex-ID: agm005280049 · Space group: Cmcm (#63)

Basic Information

Formula
EuGa3Co2
Alex-ID
agm005280049
Elements
3
Sites
12
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
201.38
ų
Cell a
6.2757
Å
Cell b
6.2757
Å
Cell c
5.2749
Å
α angle
90.00
°
β angle
90.00
°
γ angle
104.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuGa3Co2
Eu
2.00 · 16.7%
Ga
6.00 · 50.0%
Co
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3966
eV/atom
Corrected total energy
-71.9791
eV
Raw total energy
-71.9791
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
21.5667
Total magnetisation
14.1130
μB

Additional Information

Prototype ID

AB2C3_38_spg63

Decomposition

EuGa3Co2

Computed at

2022-12-12 09:53:06.979961

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: agm005280049).

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 agm005280049
data_agm005280049
_cell_length_a     6.27572
_cell_length_b     6.27572
_cell_length_c     5.27489
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  104.22624
_cell_volume       201.37847
_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
  Eu1 Eu 0.34589 0.34589 0.25000 1.00000
  Eu2 Eu 0.65411 0.65411 0.75000 1.00000
  Ga1 Ga 0.91634 0.52620 0.25000 1.00000
  Ga2 Ga 0.08366 0.47380 0.75000 1.00000
  Ga3 Ga 0.05267 0.05267 0.75000 1.00000
  Ga4 Ga 0.94733 0.94733 0.25000 1.00000
  Ga5 Ga 0.47380 0.08366 0.75000 1.00000
  Ga6 Ga 0.52620 0.91634 0.25000 1.00000
  Co1 Co 0.20246 0.79754 0.00000 1.00000
  Co2 Co 0.79754 0.20246 0.50000 1.00000
  Co3 Co 0.79754 0.20246 0.00000 1.00000
  Co4 Co 0.20246 0.79754 0.50000 1.00000
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