HfCd(H4Pd)2
Alexandria ALEXAlex-ID: agm007621166 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1508_spg12
Hf4H15 CdPd HfPd3 H2
2025-05-27 08:37:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007621166).
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 agm007621166
data_agm007621166
_cell_length_a 4.84293
_cell_length_b 5.43874
_cell_length_c 6.65192
_cell_angle_alpha 60.99252
_cell_angle_beta 64.46963
_cell_angle_gamma 62.49569
_cell_volume 130.97972
_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 0.44469 0.98777 0.49300 1.00000
Cd1 Cd 0.01111 0.99751 0.99832 1.00000
H1 H 0.11410 0.40272 0.34475 1.00000
H2 H 0.99440 0.98306 0.69699 1.00000
H3 H 0.80599 0.58913 0.66028 1.00000
H4 H 0.44442 0.92156 0.81110 1.00000
H5 H 0.60487 0.19424 0.15107 1.00000
H6 H 0.59596 0.35221 0.37843 1.00000
H7 H 0.34115 0.56631 0.68089 1.00000
H8 H 0.22147 0.98938 0.29388 1.00000
Pd1 Pd 0.18455 0.64239 0.42063 1.00000
Pd2 Pd 0.73729 0.37374 0.57068 1.00000
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