KSnH6Pd
Alexandria ALEXAlex-ID: agm006939028 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_124_spg1
Sn2Pd K2H6Pd KH9 SnPd
2024-01-28 01:09:11.036475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006939028).
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 agm006939028
data_agm006939028
_cell_length_a 4.90038
_cell_length_b 5.01468
_cell_length_c 5.57493
_cell_angle_alpha 116.80646
_cell_angle_beta 87.88209
_cell_angle_gamma 90.31201
_cell_volume 122.18181
_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
K1 K 0.22674 0.35230 0.70693 1.00000
Sn1 Sn 0.76047 0.04572 0.09007 1.00000
H1 H 0.37904 0.84811 0.19547 1.00000
H2 H 0.77245 0.97352 0.44281 1.00000
H3 H 0.77271 0.47165 0.44255 1.00000
H4 H 0.74601 0.50866 0.01602 1.00000
H5 H 0.37874 0.34540 0.19534 1.00000
H6 H 0.39122 0.79770 0.59686 1.00000
Pd1 Pd 0.57254 0.65690 0.31372 1.00000
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