Cd3(BiPb)4
Alexandria ALEXAlex-ID: agm005705032 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_23_spg71
Cd Bi Pb
2023-06-29 20:02:33.257011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705032).
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 agm005705032
data_agm005705032
_cell_length_a 3.46599
_cell_length_b 8.93736
_cell_length_c 11.95728
_cell_angle_alpha 111.94473
_cell_angle_beta 98.33345
_cell_angle_gamma 90.00001
_cell_volume 339.34082
_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 0.89644 0.89644 0.79289 1.00000
Cd2 Cd 0.10356 0.10356 0.20711 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
Bi1 Bi 0.73373 0.23373 0.46745 1.00000
Bi2 Bi 0.26627 0.76627 0.53255 1.00000
Bi3 Bi 0.50000 0.79294 1.00000 1.00000
Bi4 Bi 0.50000 0.20706 0.00000 1.00000
Pb1 Pb 0.64862 0.45493 0.29723 1.00000
Pb2 Pb 0.35138 0.15770 0.70277 1.00000
Pb3 Pb 0.35138 0.54507 0.70277 1.00000
Pb4 Pb 0.64862 0.84230 0.29723 1.00000
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