PrH5Pd6
Alexandria ALEXAlex-ID: agm007347446 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_48_spg12
Pr3H2Pd9 PrH7Pd5 HPd
2024-05-14 00:36:27.404924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007347446).
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 agm007347446
data_agm007347446
_cell_length_a 4.71148
_cell_length_b 5.57983
_cell_length_c 5.57891
_cell_angle_alpha 90.04675
_cell_angle_beta 81.64574
_cell_angle_gamma 81.66570
_cell_volume 143.54085
_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 0.01136 0.99486 0.99483 1.00000
H1 H 0.50985 0.17709 0.85601 1.00000
H2 H 0.00072 0.32533 0.63402 1.00000
H3 H 0.46025 0.53806 0.53770 1.00000
H4 H 0.00102 0.63389 0.32518 1.00000
H5 H 0.50981 0.85549 0.17655 1.00000
Pd1 Pd 0.27186 0.45047 0.84192 1.00000
Pd2 Pd 0.72556 0.14544 0.55850 1.00000
Pd3 Pd 0.77576 0.64415 0.64423 1.00000
Pd4 Pd 0.23620 0.33510 0.33521 1.00000
Pd5 Pd 0.27191 0.84188 0.45032 1.00000
Pd6 Pd 0.72570 0.55824 0.14553 1.00000
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