AlH6PbAu
Alexandria ALEXAlex-ID: agm007102309 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_125_spg5
AlAu H6Pb
2024-08-14 03:42:19.943846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007102309).
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 agm007102309
data_agm007102309
_cell_length_a 5.42074
_cell_length_b 4.73670
_cell_length_c 6.94899
_cell_angle_alpha 109.50013
_cell_angle_beta 131.11997
_cell_angle_gamma 92.16882
_cell_volume 118.08936
_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 0.03916 0.68231 0.42043 1.00000
H1 H 0.77752 0.48003 0.41938 1.00000
H2 H 0.35702 0.42655 0.89119 1.00000
H3 H 0.45042 0.84402 0.73790 1.00000
H4 H 0.05056 0.40443 0.20543 1.00000
H5 H 0.50630 0.04868 0.44441 1.00000
H6 H 0.90010 0.92389 0.27750 1.00000
Pb1 Pb 0.99341 0.94044 0.96344 1.00000
Au1 Au 0.92542 0.24942 0.64024 1.00000
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