Cs8Ag6I
Alexandria ALEXAlex-ID: agm073003276 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_61_spg2
Cs Ag CsI
2024-10-04 23:12:17.274810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073003276).
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 agm073003276
data_agm073003276
_cell_length_a 9.49365
_cell_length_b 9.49365
_cell_length_c 9.49365
_cell_angle_alpha 89.78196
_cell_angle_beta 89.78196
_cell_angle_gamma 89.78196
_cell_volume 855.63762
_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 0.23282 0.23282 0.23282 1.00000
Cs2 Cs 0.76718 0.76718 0.76718 1.00000
Cs3 Cs 0.72449 0.09228 0.36836 1.00000
Cs4 Cs 0.36836 0.72449 0.09228 1.00000
Cs5 Cs 0.09228 0.36836 0.72449 1.00000
Cs6 Cs 0.27551 0.90772 0.63164 1.00000
Cs7 Cs 0.63164 0.27551 0.90772 1.00000
Cs8 Cs 0.90772 0.63164 0.27551 1.00000
Ag1 Ag 0.29499 0.55553 0.43648 1.00000
Ag2 Ag 0.43648 0.29499 0.55553 1.00000
Ag3 Ag 0.55553 0.43648 0.29499 1.00000
Ag4 Ag 0.70501 0.44447 0.56352 1.00000
Ag5 Ag 0.56352 0.70501 0.44447 1.00000
Ag6 Ag 0.44447 0.56352 0.70501 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
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