CeH6Pd3Pb
Alexandria ALEXAlex-ID: agm006834049 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_128_spg146
CeH4Pd H2Pd3Pb H6Pb PdPb
2025-05-27 04:28:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006834049).
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 agm006834049
data_agm006834049
_cell_length_a 5.08314
_cell_length_b 5.08314
_cell_length_c 5.08731
_cell_angle_alpha 84.08170
_cell_angle_beta 95.91830
_cell_angle_gamma 84.09963
_cell_volume 129.19246
_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 0.55340 0.44660 0.55727 1.00000
H1 H 0.06912 0.28617 0.40486 1.00000
H2 H 0.40346 0.93063 0.71622 1.00000
H3 H 0.40408 0.28479 0.07098 1.00000
H4 H 0.06937 0.59654 0.71622 1.00000
H5 H 0.71383 0.93088 0.40486 1.00000
H6 H 0.71521 0.59592 0.07098 1.00000
Pd1 Pd 0.09100 0.90900 0.49179 1.00000
Pd2 Pd 0.09171 0.50734 0.09258 1.00000
Pd3 Pd 0.49266 0.90829 0.09258 1.00000
Pb1 Pb 0.95157 0.04843 0.95110 1.00000
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