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Co4AgSn12

Alexandria ALEX

Alex-ID: agm099565769 · Space group: P1 (#1)

Basic Information

Formula
Co4AgSn12
Alex-ID
agm099565769
Elements
3
Sites
17
Space group
P1 (#1)
Crystal system
triclinic
Volume
396.01
ų
Cell a
4.8522
Å
Cell b
8.8282
Å
Cell c
9.3678
Å
α angle
90.67
°
β angle
82.14
°
γ angle
94.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4AgSn12
Co
4.00 · 23.5%
Ag
1.00 · 5.9%
Sn
12.00 · 70.6%

Energy & Stability

Energy above hull
0.1352
eV/atom
Formation energy
0.0843
eV/atom
Corrected total energy
-77.9472
eV
Raw total energy
-77.9472
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.2544
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C12_1904_spg1

Decomposition

CoSn3 CoSn2 Ag3Sn

Computed at

2025-04-14 17:46:12

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: agm099565769).

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 agm099565769
data_agm099565769
_cell_length_a     4.85224
_cell_length_b     8.82820
_cell_length_c     9.36783
_cell_angle_alpha  90.66933
_cell_angle_beta   82.13936
_cell_angle_gamma  94.97878
_cell_volume       396.01469
_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 0.22090 0.19196 0.07406 1.00000
  Co2 Co 0.77403 0.99144 0.30601 1.00000
  Co3 Co 0.04587 0.49970 0.09010 1.00000
  Co4 Co 0.76924 0.52566 0.39979 1.00000
  Ag1 Ag 0.74748 0.85282 0.78535 1.00000
  Sn1 Sn 0.71749 0.04888 0.02654 1.00000
  Sn2 Sn 0.28105 0.03001 0.29831 1.00000
  Sn3 Sn 0.47396 0.38268 0.63310 1.00000
  Sn4 Sn 0.30264 0.50407 0.30835 1.00000
  Sn5 Sn 0.22375 0.68941 0.89211 1.00000
  Sn6 Sn 0.55670 0.79471 0.50634 1.00000
  Sn7 Sn 0.56728 0.41928 0.97142 1.00000
  Sn8 Sn 0.87091 0.11814 0.57157 1.00000
  Sn9 Sn 0.01083 0.61443 0.61534 1.00000
  Sn10 Sn 0.86705 0.73674 0.19930 1.00000
  Sn11 Sn 0.26932 0.06938 0.81191 1.00000
  Sn12 Sn 0.80150 0.28068 0.26040 1.00000
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