K2NaCdI5
Alexandria ALEXAlex-ID: agm005154896 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
NaI KI CdI2
2023-01-16 12:02:14.652687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154896).
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 agm005154896
data_agm005154896
_cell_length_a 4.63940
_cell_length_b 11.20135
_cell_length_c 14.93024
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.95192
_cell_volume 759.06784
_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 0.86898 0.73796 0.82203 1.00000
K2 K 0.13291 0.26582 0.68293 1.00000
K3 K 0.13102 0.26204 0.32203 1.00000
K4 K 0.86709 0.73418 0.18293 1.00000
Na1 Na 0.78569 0.57137 0.53235 1.00000
Na2 Na 0.21431 0.42863 0.03235 1.00000
Cd1 Cd 0.56204 0.12408 0.92905 1.00000
Cd2 Cd 0.43796 0.87592 0.42905 1.00000
I1 I 0.35600 0.71200 0.00459 1.00000
I2 I 0.68572 0.37144 0.87359 1.00000
I3 I 0.49923 0.99846 0.76683 1.00000
I4 I 0.29669 0.59339 0.67412 1.00000
I5 I 0.95726 0.91453 0.53848 1.00000
I6 I 0.64400 0.28800 0.50459 1.00000
I7 I 0.31428 0.62856 0.37359 1.00000
I8 I 0.50077 0.00154 0.26683 1.00000
I9 I 0.70331 0.40661 0.17412 1.00000
I10 I 0.04274 0.08547 0.03848 1.00000
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