VSnH6Pd
Alexandria ALEXAlex-ID: agm007125477 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_183_spg1
VH2 SnPd H2
2024-01-28 05:46:12.029756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007125477).
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 agm007125477
data_agm007125477
_cell_length_a 4.37755
_cell_length_b 5.10760
_cell_length_c 5.06547
_cell_angle_alpha 79.37608
_cell_angle_beta 115.51275
_cell_angle_gamma 114.44119
_cell_volume 93.05143
_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
V1 V 0.42058 0.23341 0.30153 1.00000
Sn1 Sn 0.11044 0.20066 0.69393 1.00000
H1 H 0.97721 0.98247 0.08217 1.00000
H2 H 0.43435 0.54649 0.45884 1.00000
H3 H 0.37424 0.50855 0.01392 1.00000
H4 H 0.89102 0.53477 0.40578 1.00000
H5 H 0.49487 0.03671 0.08968 1.00000
H6 H 0.58881 0.15926 0.67024 1.00000
Pd1 Pd 0.70867 0.79790 0.28403 1.00000
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