Li(CoSn)6
Alexandria ALEXAlex-ID: agm024109646 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_65_spg71
CoSn Co LiSn
2024-11-15 05:55:59.222900
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024109646).
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
@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…
# CIF generated by HEAS from Alexandria entry agm024109646
data_agm024109646
_cell_length_a 6.80216
_cell_length_b 6.80216
_cell_length_c 6.80216
_cell_angle_alpha 133.77147
_cell_angle_beta 103.38087
_cell_angle_gamma 94.40426
_cell_volume 208.14980
_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
Li1 Li 0.50000 0.50000 0.00000 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.50000 0.00000 0.00000 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.00000 0.00000 0.50000 1.00000
Co5 Co 0.75188 0.00000 0.75188 1.00000
Co6 Co 0.24812 0.00000 0.24812 1.00000
Sn1 Sn 0.16950 0.16950 0.00000 1.00000
Sn2 Sn 0.83050 0.83050 0.00000 1.00000
Sn3 Sn 0.18035 0.50000 0.68035 1.00000
Sn4 Sn 0.81965 0.50000 0.31965 1.00000
Sn5 Sn 0.66399 0.16399 0.50000 1.00000
Sn6 Sn 0.33601 0.83601 0.50000 1.00000
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