Cs3SnTe3
Alexandria ALEXAlex-ID: agm005890595 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_326_spg12
Cs3SnTe3
2023-08-06 18:41:10.261693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890595).
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 agm005890595
data_agm005890595
_cell_length_a 9.40716
_cell_length_b 9.40771
_cell_length_c 9.40771
_cell_angle_alpha 112.82049
_cell_angle_beta 96.90758
_cell_angle_gamma 96.90757
_cell_volume 749.05818
_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 0.36014 0.60993 0.60993 1.00000
Cs2 Cs 0.50000 0.17392 0.82608 1.00000
Cs3 Cs 0.50000 0.82608 0.17392 1.00000
Cs4 Cs 1.00000 0.24347 0.75653 1.00000
Cs5 Cs 0.00000 0.75653 0.24347 1.00000
Cs6 Cs 0.63986 0.39007 0.39007 1.00000
Sn1 Sn 0.85768 0.83447 0.83447 1.00000
Sn2 Sn 0.14232 0.16553 0.16553 1.00000
Te1 Te 0.19359 0.89662 0.89662 1.00000
Te2 Te 0.71904 0.84633 0.55289 1.00000
Te3 Te 0.71904 0.55289 0.84633 1.00000
Te4 Te 0.28096 0.15367 0.44711 1.00000
Te5 Te 0.28096 0.44711 0.15367 1.00000
Te6 Te 0.80641 0.10338 0.10338 1.00000
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