Cs2InS9
Alexandria ALEXAlex-ID: agm101972768 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_967_spg1
CsS3 CsS10 CsInS2
2025-05-24 02:48:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101972768).
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 agm101972768
data_agm101972768
_cell_length_a 5.77972
_cell_length_b 10.67249
_cell_length_c 11.55826
_cell_angle_alpha 41.80174
_cell_angle_beta 112.81246
_cell_angle_gamma 110.15429
_cell_volume 436.26163
_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 0.62352 0.47347 0.91816 1.00000
Cs2 Cs 0.02349 0.58401 0.30075 1.00000
In1 In 0.83082 0.17383 0.82584 1.00000
S1 S 0.74056 0.73000 0.42974 1.00000
S2 S 0.97884 0.53341 0.67412 1.00000
S3 S 0.32048 0.44548 0.17710 1.00000
S4 S 0.42636 0.30369 0.71607 1.00000
S5 S 0.10002 0.13697 0.72426 1.00000
S6 S 0.12217 0.04334 0.12324 1.00000
S7 S 0.28684 0.72115 0.96082 1.00000
S8 S 0.93386 0.99234 0.27837 1.00000
S9 S 0.61301 0.86231 0.87153 1.00000
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