SrH8Pd5
Alexandria ALEXAlex-ID: agm007346392 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_428_spg6
H4Pd HPd SrH3Pd
2024-03-06 00:26:33.284940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007346392).
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 agm007346392
data_agm007346392
_cell_length_a 4.90361
_cell_length_b 5.97465
_cell_length_c 5.73475
_cell_angle_alpha 90.07132
_cell_angle_beta 89.97140
_cell_angle_gamma 121.50040
_cell_volume 143.25374
_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 0.55131 0.63020 0.21451 1.00000
H1 H 0.34980 0.96961 0.21422 1.00000
H2 H 0.07299 0.16890 0.71457 1.00000
H3 H 0.67403 0.31537 0.48368 1.00000
H4 H 0.26814 0.75005 0.53558 1.00000
H5 H 0.67363 0.31420 0.94360 1.00000
H6 H 0.26792 0.74917 0.89316 1.00000
H7 H 0.72882 0.68728 0.71447 1.00000
H8 H 0.09436 0.14852 0.21481 1.00000
Pd1 Pd 0.64443 0.93048 0.71478 1.00000
Pd2 Pd 0.21299 0.04391 0.47002 1.00000
Pd3 Pd 0.80287 0.23557 0.21377 1.00000
Pd4 Pd 0.94629 0.51315 0.71391 1.00000
Pd5 Pd 0.21243 0.04358 0.95893 1.00000
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