NaSnH6Pd
Alexandria ALEXAlex-ID: agm007116709 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_124_spg1
Sn2Pd Na2H4Pd NaH7 SnPd
2024-01-28 04:01:23.506205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007116709).
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 agm007116709
data_agm007116709
_cell_length_a 5.31726
_cell_length_b 4.57513
_cell_length_c 4.71443
_cell_angle_alpha 89.70045
_cell_angle_beta 64.84610
_cell_angle_gamma 95.02007
_cell_volume 103.29984
_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
Na1 Na 0.69296 0.55343 0.77051 1.00000
Sn1 Sn 0.09908 0.95542 0.06204 1.00000
H1 H 0.42791 0.11779 0.65018 1.00000
H2 H 0.22804 0.59690 0.24653 1.00000
H3 H 0.61626 0.53492 0.31093 1.00000
H4 H 0.43311 0.11962 0.15003 1.00000
H5 H 0.21818 0.59343 0.74328 1.00000
H6 H 0.98052 0.17765 0.60828 1.00000
Pd1 Pd 0.30397 0.35065 0.45832 1.00000
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