ZrHPd
Alexandria ALEXAlex-ID: agm005702227 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_5_spg129
Zr7Pd10 ZrH2 ZrPd3
2023-06-17 16:22:41.351634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702227).
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 agm005702227
data_agm005702227
_cell_length_a 3.52711
_cell_length_b 3.52643
_cell_length_c 6.42835
_cell_angle_alpha 89.99979
_cell_angle_beta 89.99256
_cell_angle_gamma 89.99995
_cell_volume 79.95634
_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
Zr1 Zr 0.36518 0.11547 0.01580 1.00000
Zr2 Zr 0.86492 0.61549 0.36984 1.00000
H1 H 0.36511 0.61545 0.19277 1.00000
H2 H 0.86499 0.11549 0.19286 1.00000
Pd1 Pd 0.86515 0.61548 0.81011 1.00000
Pd2 Pd 0.36495 0.11549 0.57552 1.00000
