KInH4
Alexandria ALEXAlex-ID: agm005772177 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2307_spg14
KIn4 KH7 KH
2023-07-10 00:51:04.877074
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772177).
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 agm005772177
data_agm005772177
_cell_length_a 7.32335
_cell_length_b 7.46591
_cell_length_c 7.73651
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00001
_cell_angle_gamma 103.62730
_cell_volume 411.08955
_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 0.39758 0.22232 0.84125 1.00000
K2 K 0.10242 0.27768 0.34125 1.00000
K3 K 0.89758 0.72232 0.65875 1.00000
K4 K 0.60242 0.77768 0.15875 1.00000
In1 In 0.88804 0.19334 0.83185 1.00000
In2 In 0.61196 0.30666 0.33185 1.00000
In3 In 0.38804 0.69334 0.66815 1.00000
In4 In 0.11196 0.80666 0.16815 1.00000
H1 H 0.69577 0.00693 0.88796 1.00000
H2 H 0.00788 0.11379 0.65639 1.00000
H3 H 0.71457 0.12323 0.27347 1.00000
H4 H 0.44255 0.24495 0.49834 1.00000
H5 H 0.78543 0.37677 0.77347 1.00000
H6 H 0.05745 0.25505 0.99834 1.00000
H7 H 0.49212 0.38621 0.15639 1.00000
H8 H 0.80423 0.49307 0.38796 1.00000
H9 H 0.19577 0.50693 0.61204 1.00000
H10 H 0.50788 0.61379 0.84361 1.00000
H11 H 0.94255 0.74495 0.00166 1.00000
H12 H 0.21457 0.62323 0.22653 1.00000
H13 H 0.55745 0.75505 0.50166 1.00000
H14 H 0.28543 0.87677 0.72653 1.00000
H15 H 0.99212 0.88621 0.34361 1.00000
H16 H 0.30423 0.99307 0.11204 1.00000
