CuPb
Alexandria ALEXAlex-ID: agm005492749 · Space group: P2_13 (#198)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_9_spg198
Pb Cu
2023-03-18 20:34:58.728841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492749).
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 agm005492749
data_agm005492749
_cell_length_a 5.56395
_cell_length_b 5.56395
_cell_length_c 5.56395
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 172.24644
_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 0.09018 0.59018 0.90982 1.00000
Cu2 Cu 0.40982 0.40982 0.40982 1.00000
Cu3 Cu 0.90982 0.09018 0.59018 1.00000
Cu4 Cu 0.59018 0.90982 0.09018 1.00000
Pb1 Pb 0.41198 0.91198 0.58802 1.00000
Pb2 Pb 0.08802 0.08802 0.08802 1.00000
Pb3 Pb 0.58802 0.41198 0.91198 1.00000
Pb4 Pb 0.91198 0.58802 0.41198 1.00000
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