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Ga3(CoSn)2

Alexandria ALEX

Alex-ID: agm009809583 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ga3(CoSn)2
Alex-ID
agm009809583
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
124.32
ų
Cell a
12.0245
Å
Cell b
12.0245
Å
Cell c
3.2441
Å
α angle
90.00
°
β angle
90.00
°
γ angle
164.63
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga3(CoSn)2
Ga
3.00 · 42.9%
Co
2.00 · 28.6%
Sn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1944
eV/atom
Formation energy
-0.0022
eV/atom
Corrected total energy
-31.3564
eV
Raw total energy
-31.3564
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0147
eV
DOS at Fermi level
5.0993
Total magnetisation
0.9738
μB

Additional Information

Prototype ID

A2B2C3_6_spg65

Decomposition

Ga6Co5 Ga2Co Sn

Computed at

2024-07-18 03:57:00.783251

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: agm009809583).

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 agm009809583
data_agm009809583
_cell_length_a     12.02455
_cell_length_b     12.02455
_cell_length_c     3.24409
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  164.63057
_cell_volume       124.32117
_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
  Ga1 Ga 0.43705 0.56295 0.00000 1.00000
  Ga2 Ga 0.56295 0.43705 0.00000 1.00000
  Ga3 Ga 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.10482 0.89518 0.50000 1.00000
  Co2 Co 0.89518 0.10482 0.50000 1.00000
  Sn1 Sn 0.31778 0.68222 0.00000 1.00000
  Sn2 Sn 0.68222 0.31778 0.00000 1.00000
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