Ce(CuH4)2
Alexandria ALEXAlex-ID: agm094898993 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_884_spg12
CuH4 CeH3 Cu
2025-06-11 22:00:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm094898993).
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 agm094898993
data_agm094898993
_cell_length_a 3.47309
_cell_length_b 6.19788
_cell_length_c 4.66923
_cell_angle_alpha 98.62356
_cell_angle_beta 89.90092
_cell_angle_gamma 107.32047
_cell_volume 94.76864
_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
Ce1 Ce 0.50000 0.00000 0.00000 1.00000
Cu1 Cu 0.83353 0.65144 0.46461 1.00000
Cu2 Cu 0.16647 0.34856 0.53539 1.00000
H1 H 0.07194 0.13973 0.25751 1.00000
H2 H 0.92806 0.86027 0.74249 1.00000
H3 H 0.88192 0.76918 0.16411 1.00000
H4 H 0.11808 0.23082 0.83589 1.00000
H5 H 0.41570 0.93661 0.48999 1.00000
H6 H 0.58430 0.06339 0.51001 1.00000
H7 H 0.31820 0.63451 0.61806 1.00000
H8 H 0.68180 0.36549 0.38194 1.00000
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