K2CeH9
Alexandria ALEXAlex-ID: agm102017191 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_631_spg1
KH7 CeH3 KH
2025-05-19 18:21:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102017191).
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 agm102017191
data_agm102017191
_cell_length_a 3.74531
_cell_length_b 6.76385
_cell_length_c 7.41419
_cell_angle_alpha 56.17944
_cell_angle_beta 89.13984
_cell_angle_gamma 89.74642
_cell_volume 156.01998
_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 0.31541 0.65404 0.70517 1.00000
K2 K 0.31627 0.29279 0.27765 1.00000
Ce1 Ce 0.80673 0.98038 0.90615 1.00000
H1 H 0.76948 0.86778 0.31544 1.00000
H2 H 0.92363 0.37552 0.56986 1.00000
H3 H 0.81191 0.59998 0.98353 1.00000
H4 H 0.31317 0.12251 0.69668 1.00000
H5 H 0.71477 0.37725 0.57000 1.00000
H6 H 0.29564 0.16646 0.97703 1.00000
H7 H 0.60626 0.81882 0.28719 1.00000
H8 H 0.81861 0.98497 0.58939 1.00000
H9 H 0.30813 0.75950 0.12191 1.00000
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