In7Pb3Au2
Alexandria ALEXAlex-ID: agm024264753 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1044_spg2
In2Au In Pb
2025-05-16 13:44:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024264753).
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 agm024264753
data_agm024264753
_cell_length_a 6.24575
_cell_length_b 7.35404
_cell_length_c 7.18198
_cell_angle_alpha 89.72678
_cell_angle_beta 93.50679
_cell_angle_gamma 88.34871
_cell_volume 329.11796
_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
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.87851 0.59714 0.79772 1.00000
In3 In 0.39336 0.71657 0.90356 1.00000
In4 In 0.50332 0.05849 0.70218 1.00000
In5 In 0.12149 0.40286 0.20228 1.00000
In6 In 0.49668 0.94151 0.29782 1.00000
In7 In 0.60664 0.28343 0.09644 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.93829 0.20806 0.54701 1.00000
Pb3 Pb 0.06171 0.79194 0.45299 1.00000
Au1 Au 0.25285 0.35621 0.82655 1.00000
Au2 Au 0.74715 0.64379 0.17345 1.00000
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