CdIn(SnCl3)2
Alexandria ALEXAlex-ID: agm004972097 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_748_spg1
CdInCl3 Sn SnCl2
2022-07-22 01:50:08.051999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972097).
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 agm004972097
data_agm004972097
_cell_length_a 7.92897
_cell_length_b 8.91363
_cell_length_c 7.03324
_cell_angle_alpha 78.64255
_cell_angle_beta 122.90050
_cell_angle_gamma 122.51722
_cell_volume 348.74073
_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
Cd1 Cd 0.20585 0.13488 0.30011 1.00000
In1 In 0.02004 0.50387 0.54049 1.00000
Sn1 Sn 0.62007 0.75616 0.30092 1.00000
Sn2 Sn 0.54903 0.21109 0.81002 1.00000
Cl1 Cl 0.45054 0.88696 0.82811 1.00000
Cl2 Cl 0.48780 0.22321 0.15093 1.00000
Cl3 Cl 0.89308 0.77040 0.19024 1.00000
Cl4 Cl 0.00402 0.31432 0.00863 1.00000
Cl5 Cl 0.79310 0.60480 0.65996 1.00000
Cl6 Cl 0.94204 0.07196 0.51313 1.00000
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