ZnHPd2
Alexandria ALEXAlex-ID: agm005686759 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8935_spg2
ZnHPd2
2023-07-10 11:59:51.408019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686759).
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 agm005686759
data_agm005686759
_cell_length_a 2.97872
_cell_length_b 5.92114
_cell_length_c 6.71398
_cell_angle_alpha 67.64015
_cell_angle_beta 63.07047
_cell_angle_gamma 74.51006
_cell_volume 96.99155
_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
Zn1 Zn 0.10339 0.21898 0.54333 1.00000
Zn2 Zn 0.89662 0.78102 0.45667 1.00000
H1 H 0.99816 0.29261 0.09213 1.00000
H2 H 0.00183 0.70739 0.90787 1.00000
Pd1 Pd 0.54013 0.09914 0.15378 1.00000
Pd2 Pd 0.45987 0.90086 0.84622 1.00000
Pd3 Pd 0.25402 0.45745 0.76390 1.00000
Pd4 Pd 0.74598 0.54255 0.23610 1.00000
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