BaPb2Au
Alexandria ALEXAlex-ID: agm005687580 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7649_spg63
Ba3Pb7Au4 BaPb3 BaAu2
2023-07-11 19:57:54.664416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687580).
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 agm005687580
data_agm005687580
_cell_length_a 4.94353
_cell_length_b 4.92650
_cell_length_c 11.02954
_cell_angle_alpha 90.00009
_cell_angle_beta 104.45589
_cell_angle_gamma 89.99958
_cell_volume 260.11232
_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
Ba1 Ba 0.40837 0.75000 0.77706 1.00000
Ba2 Ba 0.59163 0.25000 0.22294 1.00000
Pb1 Pb 0.94540 0.75000 0.07364 1.00000
Pb2 Pb 0.05460 0.25000 0.92636 1.00000
Pb3 Pb 0.23929 0.25000 0.50007 1.00000
Pb4 Pb 0.76071 0.75000 0.49993 1.00000
Au1 Au 0.81675 0.25000 0.66331 1.00000
Au2 Au 0.18325 0.75000 0.33669 1.00000
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