K4H15
Alexandria ALEXAlex-ID: agm073023701 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
KH7 KH
2024-10-20 10:37:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023701).
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 agm073023701
data_agm073023701
_cell_length_a 8.70732
_cell_length_b 8.70732
_cell_length_c 8.70732
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 508.19578
_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 0.50000 0.00000 0.55329 1.00000
K2 K 0.00000 0.55329 0.50000 1.00000
K3 K 0.50000 0.00000 0.05329 1.00000
K4 K 0.44671 0.44671 0.44671 1.00000
K5 K 0.94671 0.94671 0.94671 1.00000
K6 K 0.00000 0.05329 0.50000 1.00000
K7 K 0.05329 0.50000 0.00000 1.00000
K8 K 0.55329 0.50000 0.00000 1.00000
H1 H 0.46204 0.74849 0.70933 1.00000
H2 H 0.75000 0.87500 0.12500 1.00000
H3 H 0.21355 0.96084 0.75151 1.00000
H4 H 0.74729 0.28645 0.03796 1.00000
H5 H 0.79067 0.53916 0.75271 1.00000
H6 H 0.24729 0.53796 0.78645 1.00000
H7 H 0.03796 0.74729 0.28645 1.00000
H8 H 0.46084 0.71355 0.25151 1.00000
H9 H 0.29067 0.25271 0.03916 1.00000
H10 H 0.70933 0.46204 0.74849 1.00000
H11 H 0.75151 0.21355 0.96084 1.00000
H12 H 0.53796 0.78645 0.24729 1.00000
H13 H 0.12500 0.75000 0.87500 1.00000
H14 H 0.28645 0.03796 0.74729 1.00000
H15 H 0.37500 0.25000 0.62500 1.00000
H16 H 0.03916 0.29067 0.25271 1.00000
H17 H 0.25151 0.46084 0.71355 1.00000
H18 H 0.20933 0.24849 0.96204 1.00000
H19 H 0.71355 0.25151 0.46084 1.00000
H20 H 0.62500 0.37500 0.25000 1.00000
H21 H 0.74849 0.70933 0.46204 1.00000
H22 H 0.96084 0.75151 0.21355 1.00000
H23 H 0.78645 0.24729 0.53796 1.00000
H24 H 0.75271 0.79067 0.53916 1.00000
H25 H 0.24849 0.96204 0.20933 1.00000
H26 H 0.53916 0.75271 0.79067 1.00000
H27 H 0.96204 0.20933 0.24849 1.00000
H28 H 0.25000 0.62500 0.37500 1.00000
H29 H 0.25271 0.03916 0.29067 1.00000
H30 H 0.87500 0.12500 0.75000 1.00000
