HgH6Pd2Pb
Alexandria ALEXAlex-ID: agm095925280 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_3176_spg2
H2Pd3Pb HgH4 H6Pb PdPb
2025-05-28 23:13:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095925280).
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 agm095925280
data_agm095925280
_cell_length_a 6.78862
_cell_length_b 7.55053
_cell_length_c 8.81861
_cell_angle_alpha 118.93339
_cell_angle_beta 125.91629
_cell_angle_gamma 87.84349
_cell_volume 300.44437
_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 0.69448 0.87453 0.03204 1.00000
Hg2 Hg 0.30552 0.12548 0.96796 1.00000
H1 H 0.58217 0.61706 0.18302 1.00000
H2 H 0.41782 0.38294 0.81698 1.00000
H3 H 0.10507 0.90112 0.47577 1.00000
H4 H 0.89493 0.09887 0.52423 1.00000
H5 H 0.18370 0.71575 0.06046 1.00000
H6 H 0.81629 0.28425 0.93954 1.00000
H7 H 0.32132 0.06031 0.43653 1.00000
H8 H 0.67868 0.93969 0.56347 1.00000
H9 H 0.17236 0.77757 0.00037 1.00000
H10 H 0.82763 0.22242 0.99962 1.00000
H11 H 0.33010 0.17327 0.44253 1.00000
H12 H 0.66990 0.82672 0.55747 1.00000
Pd1 Pd 0.71035 0.43273 0.09308 1.00000
Pd2 Pd 0.28964 0.56726 0.90692 1.00000
Pd3 Pd 0.88681 0.84366 0.49849 1.00000
Pd4 Pd 0.11320 0.15634 0.50151 1.00000
Pb1 Pb 0.23920 0.56122 0.51723 1.00000
Pb2 Pb 0.76082 0.43879 0.48278 1.00000
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