BeSnH6Pd
Alexandria ALEXAlex-ID: agm007124874 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
BeH4 SnPd H2
2024-01-27 23:24:28.965523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007124874).
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 agm007124874
data_agm007124874
_cell_length_a 5.19527
_cell_length_b 4.49421
_cell_length_c 6.02688
_cell_angle_alpha 45.60628
_cell_angle_beta 75.43293
_cell_angle_gamma 69.84346
_cell_volume 94.38128
_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
Be1 Be 0.57340 0.10579 0.55143 1.00000
Sn1 Sn 0.99912 0.25093 0.94735 1.00000
H1 H 0.35013 0.85286 0.70705 1.00000
H2 H 0.43553 0.60580 0.27694 1.00000
H3 H 0.15539 0.23316 0.23773 1.00000
H4 H 0.68989 0.08825 0.30084 1.00000
H5 H 0.78888 0.81237 0.79543 1.00000
H6 H 0.61057 0.29480 0.71377 1.00000
Pd1 Pd 0.39724 0.75601 0.46955 1.00000
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