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Co(SnSb2)4

Alexandria ALEX

Alex-ID: agm097618031 · Space group: Cm (#8)

Basic Information

Formula
Co(SnSb2)4
Alex-ID
agm097618031
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
363.66
ų
Cell a
5.3480
Å
Cell b
8.9256
Å
Cell c
8.7372
Å
α angle
60.71
°
β angle
90.01
°
γ angle
91.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co(SnSb2)4
Co
1.00 · 7.7%
Sn
4.00 · 30.8%
Sb
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1177
eV/atom
Formation energy
0.0525
eV/atom
Corrected total energy
-55.4317
eV
Raw total energy
-55.4317
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9884
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_791_spg191

Decomposition

Sn4Sb3 CoSb3 Sb

Computed at

2025-06-13 03:46:40

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: agm097618031).

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 agm097618031
data_agm097618031
_cell_length_a     5.34796
_cell_length_b     8.92558
_cell_length_c     8.73718
_cell_angle_alpha  60.71222
_cell_angle_beta   90.01325
_cell_angle_gamma  91.07113
_cell_volume       363.66362
_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 0.49744 0.05604 0.97170 1.00000
  Sn1 Sn 0.99695 0.98732 0.00630 1.00000
  Sn2 Sn 0.99705 0.49349 0.00285 1.00000
  Sn3 Sn 0.99726 0.49342 0.50377 1.00000
  Sn4 Sn 0.00462 0.99309 0.50365 1.00000
  Sb1 Sb 0.67533 0.16522 0.17868 1.00000
  Sb2 Sb 0.65687 0.65985 0.17019 1.00000
  Sb3 Sb 0.68501 0.65426 0.67287 1.00000
  Sb4 Sb 0.67533 0.16551 0.65583 1.00000
  Sb5 Sb 0.33902 0.82879 0.32699 1.00000
  Sb6 Sb 0.32001 0.32097 0.33949 1.00000
  Sb7 Sb 0.31603 0.35342 0.82338 1.00000
  Sb8 Sb 0.33907 0.82862 0.84432 1.00000
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