PmH8Pd5
Alexandria ALEXAlex-ID: agm006904232 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_261_spg5
PmH7Pd5 H4Pd PmH4Pd
2024-03-26 09:51:58.249857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006904232).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006904232
data_agm006904232
_cell_length_a 5.53878
_cell_length_b 5.71099
_cell_length_c 6.03044
_cell_angle_alpha 120.85858
_cell_angle_beta 61.02727
_cell_angle_gamma 119.17863
_cell_volume 135.80380
_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
Pm1 Pm 0.38902 0.62318 0.75236 1.00000
H1 H 0.16635 0.78189 0.22779 1.00000
H2 H 0.36992 0.23177 0.31655 1.00000
H3 H 0.63141 0.75701 0.33131 1.00000
H4 H 0.21938 0.81393 0.58568 1.00000
H5 H 0.82616 0.13453 0.80658 1.00000
H6 H 0.78375 0.63176 0.86579 1.00000
H7 H 0.27786 0.32669 0.00464 1.00000
H8 H 0.76376 0.26266 0.52167 1.00000
Pd1 Pd 0.61718 0.40046 0.05732 1.00000
Pd2 Pd 0.94936 0.02486 0.43204 1.00000
Pd3 Pd 0.01405 0.50876 0.34971 1.00000
Pd4 Pd 0.49030 0.01837 0.35349 1.00000
Pd5 Pd 0.00151 0.98413 0.89509 1.00000
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