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Ga3Co7

Alexandria ALEX

Alex-ID: agm002144141 · Space group: C2/m (#12)

Basic Information

Formula
Ga3Co7
Alex-ID
agm002144141
Elements
2
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
116.25
ų
Cell a
4.0883
Å
Cell b
4.9564
Å
Cell c
7.0401
Å
α angle
120.10
°
β angle
106.91
°
γ angle
89.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga3Co7
Co
7.00 · 70.0%
Ga
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0620
eV/atom
Formation energy
-0.1001
eV/atom
Corrected total energy
-59.9557
eV
Raw total energy
-59.9557
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
10.5963
Total magnetisation
7.7836
μB

Additional Information

Prototype ID

A3B7_7_spg12

Decomposition

GaCo Co

Computed at

2018-06-05 00:56:36

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: agm002144141).

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 agm002144141
data_agm002144141
_cell_length_a     4.08830
_cell_length_b     4.95641
_cell_length_c     7.04013
_cell_angle_alpha  120.10345
_cell_angle_beta   106.91046
_cell_angle_gamma  89.95223
_cell_volume       116.25111
_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
  Co1 Co 0.00000 0.50000 0.00000 1.00000
  Co2 Co 0.80114 0.90201 0.60245 1.00000
  Co3 Co 0.19886 0.09799 0.39755 1.00000
  Co4 Co 0.60050 0.29542 0.20135 1.00000
  Co5 Co 0.39950 0.70458 0.79865 1.00000
  Co6 Co 0.59374 0.77898 0.18759 1.00000
  Co7 Co 0.40626 0.22102 0.81241 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
  Ga2 Ga 0.79856 0.38330 0.59678 1.00000
  Ga3 Ga 0.20144 0.61670 0.40322 1.00000
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