KCe2H7
Alexandria ALEXAlex-ID: agm006209028 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_395_spg2
CeH3 KH
2024-02-07 12:40:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209028).
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 agm006209028
data_agm006209028
_cell_length_a 4.61892
_cell_length_b 3.81617
_cell_length_c 11.58172
_cell_angle_alpha 124.66973
_cell_angle_beta 78.50573
_cell_angle_gamma 127.23430
_cell_volume 130.36058
_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
H1 H 0.08489 0.98864 0.40619 1.00000
H2 H 0.86156 0.72284 0.58746 1.00000
H3 H 0.35982 0.41395 0.79215 1.00000
H4 H 0.09670 0.29747 0.20153 1.00000
H5 H 0.47306 0.85565 0.49679 1.00000
H6 H 0.58669 0.29751 0.20149 1.00000
H7 H 0.84985 0.41408 0.79210 1.00000
Ce1 Ce 0.26904 0.60308 0.65288 1.00000
Ce2 Ce 0.67755 0.10847 0.34079 1.00000
K1 K 0.97324 0.35570 0.99679 1.00000
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