Cs3(ZnI4)2
Alexandria ALEXAlex-ID: agm005646414 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_243_spg166
CsI4 Cs2ZnI4 ZnI2
2023-06-16 17:59:26.454814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646414).
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 agm005646414
data_agm005646414
_cell_length_a 8.17000
_cell_length_b 8.17000
_cell_length_c 12.00961
_cell_angle_alpha 70.11432
_cell_angle_beta 70.11434
_cell_angle_gamma 60.00000
_cell_volume 638.44070
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.20973 0.20973 0.37080 1.00000
Cs3 Cs 0.79027 0.79027 0.62920 1.00000
Zn1 Zn 0.40504 0.40504 0.78489 1.00000
Zn2 Zn 0.59496 0.59496 0.21511 1.00000
I1 I 0.32692 0.32692 0.01924 1.00000
I2 I 0.67308 0.67308 0.98076 1.00000
I3 I 0.26387 0.78020 0.69207 1.00000
I4 I 0.78020 0.26387 0.69207 1.00000
I5 I 0.26387 0.26387 0.69207 1.00000
I6 I 0.21980 0.73613 0.30793 1.00000
I7 I 0.73613 0.21980 0.30793 1.00000
I8 I 0.73613 0.73613 0.30793 1.00000
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