In2(PbAu)5
Alexandria ALEXAlex-ID: agm005662373 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_20_spg12
InPbAu2 Pb2Au In2Au
2023-06-19 02:44:00.311087
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662373).
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 agm005662373
data_agm005662373
_cell_length_a 3.96844
_cell_length_b 7.17363
_cell_length_c 11.84926
_cell_angle_alpha 79.56671
_cell_angle_beta 80.36013
_cell_angle_gamma 73.94260
_cell_volume 316.33808
_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 0.98206 0.25041 0.78548 1.00000
In2 In 0.01794 0.74959 0.21452 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
Pb2 Pb 0.33262 0.29986 0.03491 1.00000
Pb3 Pb 0.26785 0.14242 0.32188 1.00000
Pb4 Pb 0.73215 0.85758 0.67812 1.00000
Pb5 Pb 0.66738 0.70014 0.96509 1.00000
Au1 Au 0.86191 0.83974 0.43644 1.00000
Au2 Au 0.34000 0.54438 0.77562 1.00000
Au3 Au 0.66000 0.45562 0.22438 1.00000
Au4 Au 0.13809 0.16026 0.56356 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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