PrH4Pd
Alexandria ALEXAlex-ID: agm005772001 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1697_spg71
PrH4Pd
2023-07-10 00:25:14.351511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772001).
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 agm005772001
data_agm005772001
_cell_length_a 4.11032
_cell_length_b 4.58800
_cell_length_c 4.58801
_cell_angle_alpha 62.26565
_cell_angle_beta 62.97559
_cell_angle_gamma 62.97592
_cell_volume 64.90140
_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 0.00188 0.50271 0.49870 1.00000
H1 H 0.67073 0.09510 0.56362 1.00000
H2 H 0.33299 0.91032 0.43379 1.00000
H3 H 0.33297 0.43780 0.90631 1.00000
H4 H 0.67072 0.56763 0.09110 1.00000
Pd1 Pd 0.50189 0.00271 0.99870 1.00000
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