HfCd(H4Pd)2
Alexandria ALEXAlex-ID: agm007447232 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
Hf4H15 CdPd HfPd3 H2
2025-05-27 08:22:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447232).
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 agm007447232
data_agm007447232
_cell_length_a 3.54782
_cell_length_b 4.99530
_cell_length_c 6.90708
_cell_angle_alpha 97.13452
_cell_angle_beta 103.39973
_cell_angle_gamma 110.59417
_cell_volume 108.58657
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
H1 H 0.37734 0.74213 0.01494 1.00000
H2 H 0.31136 0.39098 0.25231 1.00000
H3 H 0.58958 0.01845 0.19723 1.00000
H4 H 0.62266 0.25787 0.98506 1.00000
H5 H 0.41042 0.98155 0.80277 1.00000
H6 H 0.68864 0.60902 0.74769 1.00000
H7 H 0.97674 0.22465 0.76280 1.00000
H8 H 0.02326 0.77535 0.23720 1.00000
Pd1 Pd 0.82605 0.41191 0.26220 1.00000
Pd2 Pd 0.17395 0.58809 0.73780 1.00000
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