CaCd(H3Pd)2
Alexandria ALEXAlex-ID: agm007704666 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_120_spg15
CaH3Pd CaH10 CdPd Ca(H6Pd)2
2024-07-09 19:04:10.080133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007704666).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007704666
data_agm007704666
_cell_length_a 6.37544
_cell_length_b 6.37544
_cell_length_c 5.79709
_cell_angle_alpha 78.74381
_cell_angle_beta 78.74381
_cell_angle_gamma 106.31158
_cell_volume 213.82813
_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
Ca1 Ca 0.83049 0.16951 0.75000 1.00000
Ca2 Ca 0.16951 0.83049 0.25000 1.00000
Cd1 Cd 0.35418 0.64582 0.75000 1.00000
Cd2 Cd 0.64582 0.35418 0.25000 1.00000
H1 H 0.43043 0.96459 0.87010 1.00000
H2 H 0.03541 0.56957 0.62990 1.00000
H3 H 0.56957 0.03541 0.12990 1.00000
H4 H 0.96459 0.43043 0.37010 1.00000
H5 H 0.16997 0.17897 0.95767 1.00000
H6 H 0.82103 0.83003 0.54233 1.00000
H7 H 0.83003 0.82103 0.04233 1.00000
H8 H 0.17897 0.16997 0.45767 1.00000
H9 H 0.53079 0.32336 0.60691 1.00000
H10 H 0.67664 0.46921 0.89309 1.00000
H11 H 0.46921 0.67664 0.39309 1.00000
H12 H 0.32336 0.53079 0.10691 1.00000
Pd1 Pd 0.08641 0.30139 0.18078 1.00000
Pd2 Pd 0.69861 0.91359 0.31922 1.00000
Pd3 Pd 0.91359 0.69861 0.81922 1.00000
Pd4 Pd 0.30139 0.08641 0.68078 1.00000
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