BeGe(PbAu3)2
Alexandria ALEXAlex-ID: agm004921972 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_413_spg2
PbAu2 BeAu3 Ge PbAu
2022-07-21 13:12:37.760390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921972).
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 agm004921972
data_agm004921972
_cell_length_a 6.63168
_cell_length_b 6.71737
_cell_length_c 6.62581
_cell_angle_alpha 61.14661
_cell_angle_beta 59.41165
_cell_angle_gamma 89.91982
_cell_volume 210.55404
_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
Be1 Be 1.00000 1.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.80828 0.43161 0.38161 1.00000
Pb2 Pb 0.19172 0.56839 0.61838 1.00000
Au1 Au 0.34215 0.16117 0.52049 1.00000
Au2 Au 0.86443 0.84003 0.81678 1.00000
Au3 Au 0.31944 0.84225 0.02015 1.00000
Au4 Au 0.68056 0.15775 0.97986 1.00000
Au5 Au 0.13556 0.15997 0.18323 1.00000
Au6 Au 0.65785 0.83883 0.47952 1.00000
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