Cs2Cd12Sn7
Alexandria ALEXAlex-ID: agm005672249 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
CsCd11 Cs4Cd2Sn21 Cd
2023-06-21 06:52:08.595828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672249).
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 agm005672249
data_agm005672249
_cell_length_a 5.02313
_cell_length_b 11.80577
_cell_length_c 11.80578
_cell_angle_alpha 120.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00002
_cell_volume 606.30944
_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
Cs1 Cs 0.25148 0.33333 0.66667 1.00000
Cs2 Cs 0.74852 0.66667 0.33333 1.00000
Cd1 Cd 0.25073 0.65881 0.07610 1.00000
Cd2 Cd 0.25073 0.41729 0.34119 1.00000
Cd3 Cd 0.25073 0.92390 0.58271 1.00000
Cd4 Cd 0.74927 0.34119 0.92390 1.00000
Cd5 Cd 0.74927 0.58271 0.65881 1.00000
Cd6 Cd 0.74927 0.07610 0.41729 1.00000
Cd7 Cd 0.24099 0.12918 0.26343 1.00000
Cd8 Cd 0.24099 0.13425 0.87082 1.00000
Cd9 Cd 0.24099 0.73657 0.86575 1.00000
Cd10 Cd 0.75901 0.87082 0.73657 1.00000
Cd11 Cd 0.75901 0.86575 0.12918 1.00000
Cd12 Cd 0.75901 0.26343 0.13425 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Sn2 Sn 0.25171 0.91237 0.32548 1.00000
Sn3 Sn 0.25171 0.41311 0.08763 1.00000
Sn4 Sn 0.25171 0.67452 0.58689 1.00000
Sn5 Sn 0.74829 0.08763 0.67452 1.00000
Sn6 Sn 0.74829 0.58689 0.91237 1.00000
Sn7 Sn 0.74829 0.32548 0.41311 1.00000
