CdCu2SnTe3S
Alexandria ALEXAlex-ID: agm010887162 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E3_52_spg1
Cu3SnTe4 Cu3SnS4 SnTe CdTe
2024-04-24 13:10:55.124055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010887162).
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 agm010887162
data_agm010887162
_cell_length_a 6.10034
_cell_length_b 6.12486
_cell_length_c 7.44877
_cell_angle_alpha 113.97621
_cell_angle_beta 113.51667
_cell_angle_gamma 90.49118
_cell_volume 228.28628
_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 0.27839 0.73900 0.51126 1.00000
Cu1 Cu 0.96748 0.96144 0.97639 1.00000
Cu2 Cu 0.73875 0.28919 0.52393 1.00000
Sn1 Sn 0.51626 0.50945 0.99192 1.00000
Te1 Te 0.09150 0.12788 0.74388 1.00000
Te2 Te 0.37607 0.91469 0.24780 1.00000
Te3 Te 0.87714 0.33611 0.25122 1.00000
S1 S 0.65442 0.62224 0.75359 1.00000
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