Ba3(Bi2Pb)2
Alexandria ALEXAlex-ID: agm005644069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_360_spg12
BaBiPb Ba2Bi3 Pb
2023-06-30 19:17:46.097713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644069).
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 agm005644069
data_agm005644069
_cell_length_a 5.24538
_cell_length_b 8.23702
_cell_length_c 9.26480
_cell_angle_alpha 105.64067
_cell_angle_beta 106.47639
_cell_angle_gamma 90.02245
_cell_volume 368.36409
_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 0.13252 0.57478 0.26484 1.00000
Ba2 Ba 0.86748 0.42522 0.73516 1.00000
Ba3 Ba 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50062 0.69003 0.00139 1.00000
Bi2 Bi 0.21884 0.23215 0.43871 1.00000
Bi3 Bi 0.49938 0.30997 0.99861 1.00000
Bi4 Bi 0.78116 0.76785 0.56129 1.00000
Pb1 Pb 0.66620 0.00374 0.33314 1.00000
Pb2 Pb 0.33380 0.99626 0.66686 1.00000
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