PrH8Pd3Au2
Alexandria ALEXAlex-ID: agm006700441 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_244_spg1
PrH7Pd5 H6Au Pr14Au51 PrH4Pd
2024-02-25 01:55:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700441).
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 agm006700441
data_agm006700441
_cell_length_a 7.04760
_cell_length_b 7.04760
_cell_length_c 7.04760
_cell_angle_alpha 45.48009
_cell_angle_beta 45.48009
_cell_angle_gamma 45.48009
_cell_volume 162.13659
_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
Pr1 Pr 0.85857 0.85857 0.85857 1.00000
H1 H 0.28040 0.28040 0.28040 1.00000
H2 H 0.72055 0.72055 0.72055 1.00000
H3 H 0.69193 0.22192 0.22192 1.00000
H4 H 0.22192 0.22192 0.69193 1.00000
H5 H 0.22192 0.69193 0.22192 1.00000
H6 H 0.78177 0.30046 0.78177 1.00000
H7 H 0.78177 0.78177 0.30046 1.00000
H8 H 0.30046 0.78177 0.78177 1.00000
Pd1 Pd 0.49896 0.00090 0.49896 1.00000
Pd2 Pd 0.49896 0.49896 0.00090 1.00000
Pd3 Pd 0.00090 0.49896 0.49896 1.00000
Au1 Au 0.15228 0.15228 0.15228 1.00000
Au2 Au 0.48200 0.48200 0.48200 1.00000
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