BiH6Pd
Alexandria ALEXAlex-ID: agm079397285 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1_spg225
BiH9 H4Pd BiPd
2025-06-26 03:30:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079397285).
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 agm079397285
data_agm079397285
_cell_length_a 4.99338
_cell_length_b 5.05262
_cell_length_c 5.03616
_cell_angle_alpha 61.59181
_cell_angle_beta 64.70024
_cell_angle_gamma 61.30564
_cell_volume 94.72079
_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
Bi1 Bi 0.93745 0.06256 0.06243 1.00000
H1 H 0.21749 0.64175 0.34194 1.00000
H2 H 0.28541 0.27314 0.83401 1.00000
H3 H 0.72961 0.29416 0.39005 1.00000
H4 H 0.58963 0.85177 0.29098 1.00000
H5 H 0.14538 0.83067 0.73501 1.00000
H6 H 0.65748 0.48347 0.78308 1.00000
Pd1 Pd 0.43754 0.56248 0.56250 1.00000
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