CeCdH5
Alexandria ALEXAlex-ID: agm007354601 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1740_spg2
CdH4 CeH3 Cd
2024-02-08 21:14:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007354601).
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 agm007354601
data_agm007354601
_cell_length_a 8.64581
_cell_length_b 8.64581
_cell_length_c 4.85974
_cell_angle_alpha 89.00902
_cell_angle_beta 89.00902
_cell_angle_gamma 153.70551
_cell_volume 160.45532
_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 0.31991 0.68009 0.75000 1.00000
Ce2 Ce 0.68009 0.31991 0.25000 1.00000
Cd1 Cd 0.09225 0.90775 0.75000 1.00000
Cd2 Cd 0.90775 0.09225 0.25000 1.00000
H1 H 0.72479 0.85476 0.57825 1.00000
H2 H 0.19485 0.77769 0.47825 1.00000
H3 H 0.34485 0.65515 0.25000 1.00000
H4 H 0.22231 0.80515 0.02175 1.00000
H5 H 0.85476 0.72479 0.07825 1.00000
H6 H 0.14524 0.27521 0.92175 1.00000
H7 H 0.77769 0.19485 0.97825 1.00000
H8 H 0.65515 0.34485 0.75000 1.00000
H9 H 0.80515 0.22231 0.52175 1.00000
H10 H 0.27521 0.14524 0.42175 1.00000
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