Cs2ZnS9
Alexandria ALEXAlex-ID: agm101798530 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_929_spg1
CsS3 CsS10 ZnS
2025-05-21 12:48:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101798530).
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 agm101798530
data_agm101798530
_cell_length_a 4.57433
_cell_length_b 10.08058
_cell_length_c 9.88037
_cell_angle_alpha 61.07091
_cell_angle_beta 90.10202
_cell_angle_gamma 77.35129
_cell_volume 385.96827
_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 0.06149 0.40401 0.29568 1.00000
Cs2 Cs 0.94161 0.59552 0.70050 1.00000
Zn1 Zn 0.00277 0.99776 0.08500 1.00000
S1 S 0.62376 0.08254 0.69611 1.00000
S2 S 0.45724 0.59399 0.42928 1.00000
S3 S 0.54290 0.40712 0.02179 1.00000
S4 S 0.75290 0.81267 0.10680 1.00000
S5 S 0.48168 0.81697 0.27803 1.00000
S6 S 0.37202 0.91870 0.77328 1.00000
S7 S 0.24597 0.18476 0.92000 1.00000
S8 S 0.99747 0.00241 0.60084 1.00000
S9 S 0.52020 0.18355 0.09267 1.00000
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