TaCd(H4Pd)2
Alexandria ALEXAlex-ID: agm007447241 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_972_spg12
Cd(HPd)2 TaH5 H4Pd CdPd
2025-05-27 08:23:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447241).
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 agm007447241
data_agm007447241
_cell_length_a 3.11396
_cell_length_b 5.08996
_cell_length_c 6.64497
_cell_angle_alpha 80.60571
_cell_angle_beta 90.00134
_cell_angle_gamma 107.72511
_cell_volume 98.83858
_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
Ta1 Ta 0.99986 0.99976 0.00006 1.00000
Cd1 Cd 0.00016 0.00034 0.49988 1.00000
H1 H 0.38761 0.77358 0.95725 1.00000
H2 H 0.19089 0.38225 0.82948 1.00000
H3 H 0.52071 0.04097 0.78944 1.00000
H4 H 0.61218 0.22598 0.04289 1.00000
H5 H 0.47938 0.95905 0.21049 1.00000
H6 H 0.80891 0.61739 0.17126 1.00000
H7 H 0.13491 0.26974 0.19320 1.00000
H8 H 0.86541 0.73093 0.80556 1.00000
Pd1 Pd 0.70338 0.40692 0.69118 1.00000
Pd2 Pd 0.29660 0.59310 0.30931 1.00000
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