Cs(H2I)4
Alexandria ALEXAlex-ID: agm097924315 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2150_spg8
CsH4I3 H6I I
2025-06-21 20:24:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097924315).
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 agm097924315
data_agm097924315
_cell_length_a 6.17501
_cell_length_b 8.03955
_cell_length_c 7.42616
_cell_angle_alpha 122.61521
_cell_angle_beta 89.69605
_cell_angle_gamma 90.77819
_cell_volume 310.50170
_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 0.17968 0.98789 0.50003 1.00000
H1 H 0.10997 0.58374 0.56155 1.00000
H2 H 0.10343 0.52416 0.44122 1.00000
H3 H 0.68298 0.12101 0.44017 1.00000
H4 H 0.68208 0.78063 0.43947 1.00000
H5 H 0.59027 0.45119 0.43800 1.00000
H6 H 0.68262 0.84077 0.56011 1.00000
H7 H 0.59362 0.51076 0.55813 1.00000
H8 H 0.68319 0.18106 0.56084 1.00000
I1 I 0.92238 0.01038 0.01087 1.00000
I2 I 0.92295 0.49967 0.98953 1.00000
I3 I 0.42369 0.50013 0.99142 1.00000
I4 I 0.42314 0.00860 0.00866 1.00000
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