KCe(CuH4)2
Alexandria ALEXAlex-ID: agm007206980 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1153_spg2
KH7 CeH3 KCuH2 Cu
2024-01-28 13:30:37.236946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007206980).
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 agm007206980
data_agm007206980
_cell_length_a 7.74671
_cell_length_b 7.74671
_cell_length_c 7.74671
_cell_angle_alpha 34.90809
_cell_angle_beta 34.90809
_cell_angle_gamma 34.90809
_cell_volume 135.91501
_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 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.23122 0.23122 0.23122 1.00000
Cu2 Cu 0.76878 0.76878 0.76878 1.00000
H1 H 0.15583 0.15583 0.15583 1.00000
H2 H 0.87866 0.44446 0.44388 1.00000
H3 H 0.84417 0.84417 0.84417 1.00000
H4 H 0.44388 0.87866 0.44446 1.00000
H5 H 0.55612 0.12134 0.55554 1.00000
H6 H 0.44446 0.44388 0.87866 1.00000
H7 H 0.55554 0.55612 0.12134 1.00000
H8 H 0.12134 0.55554 0.55612 1.00000
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