SnH8Pd3
Alexandria ALEXAlex-ID: agm007472533 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_646_spg5
Sn2HPd6 H2
2024-02-08 21:15:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007472533).
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 agm007472533
data_agm007472533
_cell_length_a 4.99552
_cell_length_b 3.78679
_cell_length_c 6.95936
_cell_angle_alpha 75.81250
_cell_angle_beta 70.92720
_cell_angle_gamma 65.71746
_cell_volume 112.47480
_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
Sn1 Sn 0.61174 0.44742 0.98451 1.00000
H1 H 0.73138 0.21885 0.34916 1.00000
H2 H 0.00149 0.16269 0.75786 1.00000
H3 H 0.38686 0.75668 0.55368 1.00000
H4 H 0.98623 0.57343 0.41321 1.00000
H5 H 0.90644 0.73125 0.07571 1.00000
H6 H 0.26821 0.29981 0.91940 1.00000
H7 H 0.30711 0.97679 0.24685 1.00000
H8 H 0.74666 0.96150 0.70787 1.00000
Pd1 Pd 0.01989 0.99916 0.47630 1.00000
Pd2 Pd 0.66486 0.77352 0.30504 1.00000
Pd3 Pd 0.36912 0.09890 0.71037 1.00000
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