Navigation

HEAS Data Platform · Materials Science Database

Co2Sn4Sb

Alexandria ALEX

Alex-ID: agm096323871 · Space group: P1 (#1)

Basic Information

Formula
Co2Sn4Sb
Alex-ID
agm096323871
Elements
3
Sites
7
Space group
P1 (#1)
Crystal system
triclinic
Volume
157.67
ų
Cell a
4.1806
Å
Cell b
4.8265
Å
Cell c
7.8929
Å
α angle
94.44
°
β angle
88.01
°
γ angle
83.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Sn4Sb
Co
2.00 · 28.6%
Sn
4.00 · 57.1%
Sb
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1614
eV/atom
Formation energy
0.0757
eV/atom
Corrected total energy
-33.8516
eV
Raw total energy
-33.8516
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.3505
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_141_spg65

Decomposition

CoSn3 CoSn2 CoSb3

Computed at

2025-04-10 16:53:04

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: agm096323871).

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 agm096323871
data_agm096323871
_cell_length_a     4.18055
_cell_length_b     4.82650
_cell_length_c     7.89293
_cell_angle_alpha  94.44413
_cell_angle_beta   88.00852
_cell_angle_gamma  83.69963
_cell_volume       157.67098
_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 0.03301 0.89423 0.93746 1.00000
  Co2 Co 0.44032 0.96083 0.47397 1.00000
  Sn1 Sn 0.56039 0.72205 0.76748 1.00000
  Sn2 Sn 0.94174 0.92136 0.26675 1.00000
  Sn3 Sn 0.93178 0.16221 0.65615 1.00000
  Sn4 Sn 0.43532 0.45007 0.37625 1.00000
  Sb1 Sb 0.15743 0.38925 0.02194 1.00000
Get direct link