K2SrCdI6
Alexandria ALEXAlex-ID: agm004958367 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
K2SrI4 CdI2
2022-07-23 22:01:35.641177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004958367).
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 agm004958367
data_agm004958367
_cell_length_a 8.54290
_cell_length_b 8.54397
_cell_length_c 8.69639
_cell_angle_alpha 60.57145
_cell_angle_beta 60.58444
_cell_angle_gamma 59.99150
_cell_volume 452.68873
_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 0.53223 0.53216 0.40344 1.00000
K2 K 0.03129 0.03130 0.90613 1.00000
Sr1 Sr 0.81953 0.81951 0.54143 1.00000
Cd1 Cd 0.32012 0.32015 0.03960 1.00000
I1 I 0.57195 0.18493 0.26215 1.00000
I2 I 0.18488 0.98099 0.26225 1.00000
I3 I 0.98099 0.57197 0.26218 1.00000
I4 I 0.45788 0.66528 0.77927 1.00000
I5 I 0.66527 0.09740 0.77943 1.00000
I6 I 0.09745 0.45792 0.77933 1.00000
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