Cd2Bi5Pb2
Alexandria ALEXAlex-ID: agm005565764 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_552_spg12
Cd Bi Pb
2023-06-02 11:26:53.271764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565764).
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 agm005565764
data_agm005565764
_cell_length_a 5.77705
_cell_length_b 11.79196
_cell_length_c 5.86233
_cell_angle_alpha 119.84318
_cell_angle_beta 119.51990
_cell_angle_gamma 90.00000
_cell_volume 285.08319
_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
Cd1 Cd 0.78033 0.67880 0.56066 1.00000
Cd2 Cd 0.21967 0.32120 0.43934 1.00000
Bi1 Bi 0.57471 0.35022 0.14943 1.00000
Bi2 Bi 0.42529 0.64978 0.85057 1.00000
Bi3 Bi 0.89338 0.33806 0.78675 1.00000
Bi4 Bi 0.10662 0.66194 0.21325 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.65245 0.97963 0.30491 1.00000
Pb2 Pb 0.34755 0.02037 0.69509 1.00000
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