Cu3As2Pb
Alexandria ALEXAlex-ID: agm005807889 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1405_spg12
As2Pb3 Cu As
2023-08-17 14:22:15.451530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807889).
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 agm005807889
data_agm005807889
_cell_length_a 3.81154
_cell_length_b 7.10874
_cell_length_c 8.69996
_cell_angle_alpha 75.43311
_cell_angle_beta 77.34647
_cell_angle_gamma 74.44947
_cell_volume 216.87255
_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
Cu1 Cu 0.75345 0.09920 0.39390 1.00000
Cu2 Cu 0.08293 0.30131 0.53282 1.00000
Cu3 Cu 0.42098 0.50552 0.65252 1.00000
Cu4 Cu 0.57902 0.49448 0.34748 1.00000
Cu5 Cu 0.91707 0.69869 0.46718 1.00000
Cu6 Cu 0.24655 0.90080 0.60610 1.00000
As1 As 0.58990 0.12513 0.69507 1.00000
As2 As 0.41010 0.87487 0.30493 1.00000
As3 As 0.21927 0.33265 0.22882 1.00000
As4 As 0.78073 0.66735 0.77118 1.00000
Pb1 Pb 0.10261 0.74701 0.04776 1.00000
Pb2 Pb 0.89739 0.25299 0.95224 1.00000
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