KI4
Alexandria ALEXAlex-ID: agm005544575 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_694_spg1
KI3 I
2023-05-29 07:28:03.390804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544575).
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 agm005544575
data_agm005544575
_cell_length_a 6.10721
_cell_length_b 9.78583
_cell_length_c 11.98361
_cell_angle_alpha 112.88787
_cell_angle_beta 57.15690
_cell_angle_gamma 112.55129
_cell_volume 540.38409
_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
K1 K 0.40176 0.30558 0.70189 1.00000
K2 K 0.40427 0.30596 0.20076 1.00000
I1 I 0.49160 0.53902 0.50106 1.00000
I2 I 0.79051 0.02222 0.39183 1.00000
I3 I 0.00246 0.55900 0.00373 1.00000
I4 I 0.81134 0.07383 0.65242 1.00000
I5 I 0.81291 0.07407 0.15225 1.00000
I6 I 0.49394 0.54038 0.00096 1.00000
I7 I 0.79060 0.02257 0.89189 1.00000
I8 I 0.00062 0.55741 0.50322 1.00000
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