SrH8Pd2Au
Alexandria ALEXAlex-ID: agm007203797 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_44_spg2
SrAu5 H6Au H4Pd SrH3Pd
2025-05-28 04:15:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007203797).
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 agm007203797
data_agm007203797
_cell_length_a 6.60171
_cell_length_b 5.07437
_cell_length_c 5.25257
_cell_angle_alpha 88.55826
_cell_angle_beta 96.97659
_cell_angle_gamma 131.32818
_cell_volume 130.79778
_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
Sr1 Sr 0.00000 0.50000 0.50000 1.00000
H1 H 0.50125 0.05538 0.57178 1.00000
H2 H 0.74611 0.65159 0.74536 1.00000
H3 H 0.49875 0.94462 0.42822 1.00000
H4 H 0.72250 0.17622 0.99731 1.00000
H5 H 0.27750 0.82378 0.00269 1.00000
H6 H 0.22153 0.20644 0.74610 1.00000
H7 H 0.77847 0.79356 0.25390 1.00000
H8 H 0.25389 0.34841 0.25464 1.00000
Pd1 Pd 0.50474 0.24667 0.86490 1.00000
Pd2 Pd 0.49526 0.75333 0.13510 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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