K8SrI4
Alexandria ALEXAlex-ID: agm098181784 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1664_spg8
K Sr KI
2025-06-16 07:43:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098181784).
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
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# CIF generated by HEAS from Alexandria entry agm098181784
data_agm098181784
_cell_length_a 4.67590
_cell_length_b 13.13541
_cell_length_c 14.83275
_cell_angle_alpha 56.70015
_cell_angle_beta 89.73453
_cell_angle_gamma 90.04674
_cell_volume 761.42916
_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 0.84377 0.99541 0.32472 1.00000
K2 K 0.84565 0.71849 0.04086 1.00000
K3 K 0.85095 0.55460 0.65088 1.00000
K4 K 0.84259 0.12840 0.73407 1.00000
K5 K 0.35694 0.67569 0.34509 1.00000
K6 K 0.35293 0.31271 0.37850 1.00000
K7 K 0.33933 0.38119 0.02383 1.00000
K8 K 0.34623 0.84268 0.68751 1.00000
Sr1 Sr 0.33702 0.01947 0.03889 1.00000
I1 I 0.83857 0.25527 0.90132 1.00000
I2 I 0.84308 0.62062 0.85539 1.00000
I3 I 0.85357 0.42842 0.49125 1.00000
I4 I 0.84935 0.06706 0.52770 1.00000
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