K3(CdSn2)2
Alexandria ALEXAlex-ID: agm005673657 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_728_spg12
K2CdSn3 KCd11 KSn
2023-06-27 06:17:54.479670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673657).
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
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# CIF generated by HEAS from Alexandria entry agm005673657
data_agm005673657
_cell_length_a 4.88339
_cell_length_b 7.26445
_cell_length_c 11.72866
_cell_angle_alpha 58.47675
_cell_angle_beta 77.98418
_cell_angle_gamma 70.35963
_cell_volume 333.76703
_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
K1 K 0.33451 0.66108 0.66989 1.00000
K2 K 0.00000 0.00000 0.00000 1.00000
K3 K 0.66549 0.33892 0.33011 1.00000
Cd1 Cd 0.39038 0.93651 0.28272 1.00000
Cd2 Cd 0.60962 0.06349 0.71728 1.00000
Sn1 Sn 0.28623 0.37445 0.05308 1.00000
Sn2 Sn 0.71377 0.62555 0.94692 1.00000
Sn3 Sn 0.05976 0.27806 0.60241 1.00000
Sn4 Sn 0.94024 0.72194 0.39759 1.00000
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