K4H2I
Alexandria ALEXAlex-ID: agm096320985 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_179_spg10
KH K KI
2025-04-10 19:10:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096320985).
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
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# CIF generated by HEAS from Alexandria entry agm096320985
data_agm096320985
_cell_length_a 4.26801
_cell_length_b 7.55814
_cell_length_c 7.93373
_cell_angle_alpha 88.68507
_cell_angle_beta 90.15990
_cell_angle_gamma 90.10265
_cell_volume 255.85915
_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 0.49953 0.16897 0.19265 1.00000
K2 K 0.00219 0.65367 0.22660 1.00000
K3 K 0.99816 0.34850 0.77440 1.00000
K4 K 0.50026 0.83046 0.80613 1.00000
H1 H 0.00041 0.99759 0.00072 1.00000
H2 H 0.50004 0.49875 0.99917 1.00000
I1 I 0.99941 0.00205 0.50033 1.00000
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