PrSi(H4Pd)2
Alexandria ALEXAlex-ID: agm007453050 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
PrH3 PrH4Pd SiH20 SiPd2
2025-06-13 15:17:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453050).
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 agm007453050
data_agm007453050
_cell_length_a 4.10881
_cell_length_b 5.01938
_cell_length_c 6.31477
_cell_angle_alpha 102.30318
_cell_angle_beta 113.34181
_cell_angle_gamma 100.18396
_cell_volume 111.76556
_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 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
H1 H 0.42197 0.66913 0.32868 1.00000
H2 H 0.20844 0.44880 0.90495 1.00000
H3 H 0.57803 0.33087 0.67132 1.00000
H4 H 0.79156 0.55120 0.09505 1.00000
H5 H 0.10562 0.03355 0.58313 1.00000
H6 H 0.89438 0.96645 0.41687 1.00000
H7 H 0.73400 0.75188 0.71597 1.00000
H8 H 0.26600 0.24812 0.28403 1.00000
Pd1 Pd 0.47605 0.20811 0.88110 1.00000
Pd2 Pd 0.52395 0.79189 0.11890 1.00000
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