Al4H8Pb
Alexandria ALEXAlex-ID: agm007342952 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_481_spg2
AlH3 Al Pb
2024-02-08 07:52:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007342952).
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 agm007342952
data_agm007342952
_cell_length_a 5.79038
_cell_length_b 5.01735
_cell_length_c 5.88889
_cell_angle_alpha 110.79147
_cell_angle_beta 88.04961
_cell_angle_gamma 87.76734
_cell_volume 159.61345
_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 0.75976 0.99918 0.01848 1.00000
Al2 Al 0.22575 0.03352 0.53082 1.00000
Al3 Al 0.77425 0.96648 0.46918 1.00000
Al4 Al 0.24024 0.00082 0.98152 1.00000
H1 H 0.01378 0.75463 0.45581 1.00000
H2 H 0.27167 0.88230 0.22028 1.00000
H3 H 0.46576 0.24320 0.09189 1.00000
H4 H 0.98622 0.24537 0.54419 1.00000
H5 H 0.99996 0.75723 0.90684 1.00000
H6 H 0.53424 0.75680 0.90811 1.00000
H7 H 0.00004 0.24277 0.09316 1.00000
H8 H 0.72833 0.11770 0.77972 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
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