P2HPdAu
Alexandria ALEXAlex-ID: agm002082913 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1068_spg1
P2H4Pd Au P2Pd
2021-11-09 11:52:59.572742
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002082913).
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 agm002082913
data_agm002082913
_cell_length_a 4.09459
_cell_length_b 4.21930
_cell_length_c 5.92012
_cell_angle_alpha 79.27752
_cell_angle_beta 88.19849
_cell_angle_gamma 59.94455
_cell_volume 86.75037
_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
P1 P 0.89180 0.60063 0.13287 1.00000
P2 P 0.12076 0.15912 0.44616 1.00000
H1 H 0.72105 0.98721 0.14487 1.00000
Pd1 Pd 0.43146 0.52827 0.38398 1.00000
Au1 Au 0.99257 0.43182 0.77615 1.00000
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