HgBi3Pd4
Alexandria ALEXAlex-ID: agm003558201 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_349_spg44
Hg2Pd HgBi2Pd9 BiPd
2022-04-05 22:02:53.655647
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003558201).
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 agm003558201
data_agm003558201
_cell_length_a 6.67821
_cell_length_b 6.67821
_cell_length_c 6.67821
_cell_angle_alpha 75.69877
_cell_angle_beta 130.39755
_cell_angle_gamma 126.79348
_cell_volume 176.70895
_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
Hg1 Hg 0.19935 0.50000 0.69935 1.00000
Bi1 Bi 0.62527 0.29393 0.91919 1.00000
Bi2 Bi 0.86040 0.00000 0.86040 1.00000
Bi3 Bi 0.62527 0.70607 0.33134 1.00000
Pd1 Pd 0.13193 0.76878 0.90070 1.00000
Pd2 Pd 0.13193 0.23122 0.36315 1.00000
Pd3 Pd 0.52969 0.24126 0.28843 1.00000
Pd4 Pd 0.04717 0.75874 0.28843 1.00000
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