BaCdPb11
Alexandria ALEXAlex-ID: agm005697277 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
BaPb3 Ba(CdPb)2 Pb
2023-06-29 14:44:55.983654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697277).
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 agm005697277
data_agm005697277
_cell_length_a 6.55666
_cell_length_b 8.72900
_cell_length_c 8.67186
_cell_angle_alpha 82.53112
_cell_angle_beta 67.78752
_cell_angle_gamma 69.88873
_cell_volume 431.46813
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.29192 0.22063 0.21345 1.00000
Pb2 Pb 0.70808 0.77937 0.78655 1.00000
Pb3 Pb 0.49463 0.77937 0.21345 1.00000
Pb4 Pb 0.50537 0.22063 0.78655 1.00000
Pb5 Pb 0.35673 0.64298 0.64844 1.00000
Pb6 Pb 0.64327 0.35702 0.35156 1.00000
Pb7 Pb 0.99484 0.35702 0.64844 1.00000
Pb8 Pb 0.00516 0.64298 0.35156 1.00000
Pb9 Pb 0.00000 0.50000 0.00000 1.00000
Pb10 Pb 0.50000 0.00000 0.50000 1.00000
Pb11 Pb 0.00000 0.00000 0.50000 1.00000
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