K2Li2H7
Alexandria ALEXAlex-ID: agm006334072 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_292_spg12
KH7 LiH KH
2024-10-22 09:17:33.556796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006334072).
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 agm006334072
data_agm006334072
_cell_length_a 6.89194
_cell_length_b 6.89194
_cell_length_c 3.63416
_cell_angle_alpha 74.80381
_cell_angle_beta 74.80381
_cell_angle_gamma 104.77350
_cell_volume 150.73398
_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 0.77680 0.22320 0.00000 1.00000
K2 K 0.22320 0.77680 0.00000 1.00000
Li1 Li 0.75640 0.75640 0.74565 1.00000
Li2 Li 0.24360 0.24360 0.25435 1.00000
H1 H 0.79408 0.60111 0.30140 1.00000
H2 H 0.39889 0.20592 0.69860 1.00000
H3 H 0.20592 0.39889 0.69860 1.00000
H4 H 0.60111 0.79408 0.30140 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
H6 H 0.69646 0.69646 0.30367 1.00000
H7 H 0.30354 0.30354 0.69633 1.00000
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