K2InAgI5
Alexandria ALEXAlex-ID: agm005160973 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_198_spg36
KInI4 KI Ag
2023-01-07 23:31:29.256044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005160973).
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 agm005160973
data_agm005160973
_cell_length_a 5.25117
_cell_length_b 10.69891
_cell_length_c 14.09819
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.20587
_cell_volume 767.84058
_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 0.88079 0.76157 0.82552 1.00000
K2 K 0.11217 0.22434 0.67530 1.00000
K3 K 0.11921 0.23843 0.32552 1.00000
K4 K 0.88783 0.77566 0.17530 1.00000
In1 In 0.58523 0.17045 0.94906 1.00000
In2 In 0.41477 0.82955 0.44906 1.00000
Ag1 Ag 0.74676 0.49352 0.61964 1.00000
Ag2 Ag 0.25324 0.50648 0.11964 1.00000
I1 I 0.36174 0.72348 0.00155 1.00000
I2 I 0.70010 0.40020 0.82415 1.00000
I3 I 0.50131 0.00262 0.77061 1.00000
I4 I 0.30617 0.61234 0.63686 1.00000
I5 I 0.95542 0.91085 0.52129 1.00000
I6 I 0.63826 0.27652 0.50155 1.00000
I7 I 0.29990 0.59980 0.32415 1.00000
I8 I 0.49869 0.99738 0.27061 1.00000
I9 I 0.69383 0.38766 0.13686 1.00000
I10 I 0.04458 0.08915 0.02129 1.00000
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