SmH6Pd3Au
Alexandria ALEXAlex-ID: agm006756502 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_48_spg146
SmPdAu4 Sm14Au51 H4Pd SmH4Pd3
2024-03-15 22:46:59.747599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006756502).
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 agm006756502
data_agm006756502
_cell_length_a 5.00201
_cell_length_b 5.00201
_cell_length_c 5.00201
_cell_angle_alpha 95.18428
_cell_angle_beta 95.18428
_cell_angle_gamma 95.18428
_cell_volume 123.51495
_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
Sm1 Sm 0.54292 0.54292 0.54292 1.00000
H1 H 0.23306 0.17366 0.77859 1.00000
H2 H 0.77859 0.23306 0.17366 1.00000
H3 H 0.03034 0.54060 0.66384 1.00000
H4 H 0.66384 0.03034 0.54060 1.00000
H5 H 0.54060 0.66384 0.03034 1.00000
H6 H 0.17366 0.77859 0.23306 1.00000
Pd1 Pd 0.47049 0.00171 0.20533 1.00000
Pd2 Pd 0.00171 0.20533 0.47049 1.00000
Pd3 Pd 0.20533 0.47049 0.00171 1.00000
Au1 Au 0.92999 0.92999 0.92999 1.00000
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