SnHPd4
Alexandria ALEXAlex-ID: agm005890537 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
HPd SnPd3
2023-07-10 03:42:05.117209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890537).
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 agm005890537
data_agm005890537
_cell_length_a 4.94709
_cell_length_b 6.09114
_cell_length_c 6.09092
_cell_angle_alpha 104.55651
_cell_angle_beta 100.08267
_cell_angle_gamma 100.08599
_cell_volume 170.21830
_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 0.75000 0.63226 0.36773 1.00000
Sn2 Sn 0.25000 0.36774 0.63227 1.00000
H1 H 0.25001 0.00877 0.99124 1.00000
H2 H 0.74999 0.99123 0.00876 1.00000
Pd1 Pd 0.86179 0.57734 0.81348 1.00000
Pd2 Pd 0.04845 0.96885 0.23196 1.00000
Pd3 Pd 0.63821 0.18652 0.42267 1.00000
Pd4 Pd 0.45156 0.76805 0.03116 1.00000
Pd5 Pd 0.54844 0.23195 0.96884 1.00000
Pd6 Pd 0.36179 0.81348 0.57733 1.00000
Pd7 Pd 0.95155 0.03115 0.76804 1.00000
Pd8 Pd 0.13821 0.42266 0.18652 1.00000
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