K8HI4
Alexandria ALEXAlex-ID: agm097579867 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2155_spg8
KH K KI
2025-06-16 03:25:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097579867).
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 agm097579867
data_agm097579867
_cell_length_a 4.81750
_cell_length_b 10.51695
_cell_length_c 14.14787
_cell_angle_alpha 62.74152
_cell_angle_beta 90.03454
_cell_angle_gamma 103.21112
_cell_volume 615.83966
_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 0.57915 0.15908 0.09042 1.00000
K2 K 0.88335 0.76609 0.21559 1.00000
K3 K 0.28510 0.57320 0.83684 1.00000
K4 K 0.99514 0.98913 0.63965 1.00000
K5 K 0.39261 0.78226 0.48670 1.00000
K6 K 0.65398 0.30610 0.33049 1.00000
K7 K 0.67799 0.35654 0.65895 1.00000
K8 K 0.44172 0.88488 0.94961 1.00000
H1 H 0.44031 0.88087 0.13512 1.00000
I1 I 0.09378 0.18953 0.89595 1.00000
I2 I 0.78042 0.56279 0.04390 1.00000
I3 I 0.24411 0.48609 0.41281 1.00000
I4 I 0.03234 0.06342 0.30396 1.00000
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