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Co4Sn8Te

Alexandria ALEX

Alex-ID: agm097863327 · Space group: Pm (#6)

Basic Information

Formula
Co4Sn8Te
Alex-ID
agm097863327
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
277.46
ų
Cell a
3.3559
Å
Cell b
9.4257
Å
Cell c
9.1353
Å
α angle
73.78
°
β angle
89.96
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4Sn8Te
Co
4.00 · 30.8%
Sn
8.00 · 61.5%
Te
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1604
eV/atom
Formation energy
0.0518
eV/atom
Corrected total energy
-62.9867
eV
Raw total energy
-62.9867
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0283
eV
DOS at Fermi level
9.0875
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1252_spg6

Decomposition

CoSn2 SnTe Co2(SnTe)3

Computed at

2025-06-13 01:33:44

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: agm097863327).

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 agm097863327
data_agm097863327
_cell_length_a     3.35586
_cell_length_b     9.42568
_cell_length_c     9.13528
_cell_angle_alpha  73.78161
_cell_angle_beta   89.95516
_cell_angle_gamma  90.01314
_cell_volume       277.46079
_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 0.99990 0.89240 0.96969 1.00000
  Co2 Co 0.99918 0.52165 0.79767 1.00000
  Co3 Co 0.00051 0.51145 0.49045 1.00000
  Co4 Co 0.00049 0.84426 0.68952 1.00000
  Sn1 Sn 0.49656 0.35859 0.02675 1.00000
  Sn2 Sn 0.00099 0.67575 0.22008 1.00000
  Sn3 Sn 0.50053 0.70183 0.55705 1.00000
  Sn4 Sn 0.50044 0.03653 0.74962 1.00000
  Sn5 Sn 0.00121 0.04799 0.42613 1.00000
  Sn6 Sn 0.50095 0.35581 0.35581 1.00000
  Sn7 Sn 0.49978 0.35486 0.69360 1.00000
  Sn8 Sn 0.49988 0.69288 0.90825 1.00000
  Te1 Te 0.49956 0.00599 0.11538 1.00000
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