Al2HgH8Pb
Alexandria ALEXAlex-ID: agm007483396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_210_spg2
HgH4 AlH3 Pb Hg
2024-02-08 03:34:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007483396).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007483396
data_agm007483396
_cell_length_a 6.36224
_cell_length_b 6.36224
_cell_length_c 5.77870
_cell_angle_alpha 69.21409
_cell_angle_beta 69.21409
_cell_angle_gamma 66.22253
_cell_volume 193.89503
_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
Al1 Al 0.29469 0.29469 0.23829 1.00000
Al2 Al 0.70531 0.70531 0.76171 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.87133 0.87133 0.63653 1.00000
H2 H 0.64219 0.64219 0.07861 1.00000
H3 H 0.12867 0.12867 0.36347 1.00000
H4 H 0.35781 0.35781 0.92139 1.00000
H5 H 0.54751 0.19019 0.32720 1.00000
H6 H 0.45249 0.80981 0.67280 1.00000
H7 H 0.19019 0.54751 0.32720 1.00000
H8 H 0.80981 0.45249 0.67280 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
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