K3In2I7
Alexandria ALEXAlex-ID: agm101231997 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_801_spg1
KInI2 KInI4 KI
2025-05-16 17:34:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101231997).
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 agm101231997
data_agm101231997
_cell_length_a 8.18530
_cell_length_b 8.61687
_cell_length_c 9.11435
_cell_angle_alpha 86.67132
_cell_angle_beta 85.25273
_cell_angle_gamma 66.63228
_cell_volume 587.87455
_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 0.08938 0.06194 0.03619 1.00000
K2 K 0.63303 0.65226 0.48419 1.00000
K3 K 0.79490 0.08339 0.56366 1.00000
In1 In 0.74366 0.70706 0.00995 1.00000
In2 In 0.39124 0.38052 0.88498 1.00000
I1 I 0.38865 0.40161 0.53821 1.00000
I2 I 0.99011 0.45928 0.20715 1.00000
I3 I 0.70120 0.98900 0.20533 1.00000
I4 I 0.43334 0.66859 0.15398 1.00000
I5 I 0.02889 0.75995 0.82322 1.00000
I6 I 0.80768 0.39759 0.80650 1.00000
I7 I 0.49792 0.93881 0.78663 1.00000
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