CeAl2H7Pd2
Alexandria ALEXAlex-ID: agm006445878 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_152_spg44
CeH3 AlPd H2
2024-10-15 10:49:57.805939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006445878).
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 agm006445878
data_agm006445878
_cell_length_a 7.88060
_cell_length_b 7.88060
_cell_length_c 7.88060
_cell_angle_alpha 154.45921
_cell_angle_beta 147.36578
_cell_angle_gamma 41.89164
_cell_volume 113.54336
_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 0.40104 0.50000 0.90104 1.00000
Al1 Al 0.07368 0.12748 0.94620 1.00000
Al2 Al 0.81871 0.87252 0.94620 1.00000
H1 H 0.68430 0.06845 0.61585 1.00000
H2 H 0.77589 0.69835 0.07754 1.00000
H3 H 0.86566 0.42785 0.43780 1.00000
H4 H 0.54740 0.93155 0.61585 1.00000
H5 H 0.37919 0.30165 0.07754 1.00000
H6 H 0.00995 0.57215 0.43780 1.00000
H7 H 0.10106 0.00000 0.10106 1.00000
Pd1 Pd 0.64391 0.22219 0.42172 1.00000
Pd2 Pd 0.19953 0.77781 0.42172 1.00000
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