K2CuAgI5
Alexandria ALEXAlex-ID: agm005158154 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_224_spg36
KI3 Cu3I4 KI AgI
2023-01-08 01:29:57.748258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158154).
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 agm005158154
data_agm005158154
_cell_length_a 4.38092
_cell_length_b 11.55798
_cell_length_c 13.85618
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 100.92473
_cell_volume 688.88725
_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 0.88746 0.77492 0.80674 1.00000
K2 K 0.12566 0.25132 0.68468 1.00000
K3 K 0.11254 0.22508 0.30674 1.00000
K4 K 0.87434 0.74868 0.18468 1.00000
Cu1 Cu 0.56417 0.12834 0.93431 1.00000
Cu2 Cu 0.43583 0.87166 0.43431 1.00000
Ag1 Ag 0.77742 0.55483 0.53407 1.00000
Ag2 Ag 0.22258 0.44517 0.03407 1.00000
I1 I 0.34783 0.69567 0.99378 1.00000
I2 I 0.67744 0.35489 0.90161 1.00000
I3 I 0.51054 0.02107 0.76661 1.00000
I4 I 0.28612 0.57225 0.67814 1.00000
I5 I 0.96658 0.93315 0.52404 1.00000
I6 I 0.65217 0.30433 0.49378 1.00000
I7 I 0.32256 0.64511 0.40161 1.00000
I8 I 0.48946 0.97893 0.26661 1.00000
I9 I 0.71388 0.42775 0.17814 1.00000
I10 I 0.03342 0.06685 0.02404 1.00000
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