KInI4
Alexandria ALEXAlex-ID: agm005755649 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2631_spg14
KInI4
2023-08-05 22:15:31.575608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755649).
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 agm005755649
data_agm005755649
_cell_length_a 11.69250
_cell_length_b 9.20315
_cell_length_c 13.84775
_cell_angle_alpha 58.21248
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1266.61806
_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 0.18331 0.80506 0.83135 1.00000
K2 K 0.68331 0.19494 0.66865 1.00000
K3 K 0.31669 0.80506 0.33135 1.00000
K4 K 0.81669 0.19494 0.16865 1.00000
In1 In 0.17938 0.34758 0.78111 1.00000
In2 In 0.67938 0.65242 0.71889 1.00000
In3 In 0.32062 0.34758 0.28111 1.00000
In4 In 0.82062 0.65242 0.21889 1.00000
I1 I 0.11480 0.34920 0.97275 1.00000
I2 I 0.37191 0.14481 0.83617 1.00000
I3 I 0.72098 0.31323 0.88269 1.00000
I4 I 0.52153 0.79739 0.79165 1.00000
I5 I 0.22098 0.68677 0.61731 1.00000
I6 I 0.02153 0.20261 0.70835 1.00000
I7 I 0.87191 0.85519 0.66383 1.00000
I8 I 0.61480 0.65080 0.52725 1.00000
I9 I 0.38520 0.34920 0.47275 1.00000
I10 I 0.12809 0.14481 0.33617 1.00000
I11 I 0.97847 0.79739 0.29165 1.00000
I12 I 0.77902 0.31323 0.38269 1.00000
I13 I 0.47847 0.20261 0.20835 1.00000
I14 I 0.27902 0.68677 0.11731 1.00000
I15 I 0.62809 0.85519 0.16383 1.00000
I16 I 0.88520 0.65080 0.02725 1.00000
