As2Pb4Au
Alexandria ALEXAlex-ID: agm095968339 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_111_spg111
As2PbAu Pb2Au As2Pb3
2025-04-10 13:59:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095968339).
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 agm095968339
data_agm095968339
_cell_length_a 6.20892
_cell_length_b 4.19479
_cell_length_c 7.84949
_cell_angle_alpha 90.00000
_cell_angle_beta 92.73465
_cell_angle_gamma 90.00000
_cell_volume 204.20793
_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
As1 As 0.98426 0.50000 0.97221 1.00000
As2 As 0.01753 0.00000 0.46739 1.00000
Pb1 Pb 0.71686 0.00000 0.77980 1.00000
Pb2 Pb 0.69520 0.50000 0.40716 1.00000
Pb3 Pb 0.26029 0.50000 0.68062 1.00000
Pb4 Pb 0.25355 0.00000 0.14581 1.00000
Au1 Au 0.57231 0.50000 0.04700 1.00000
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