Na3(BiPb2)2
Alexandria ALEXAlex-ID: agm005645331 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_520_spg66
NaBiPb NaPb3 NaBi
2023-06-27 11:58:13.421167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645331).
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 agm005645331
data_agm005645331
_cell_length_a 7.32316
_cell_length_b 9.60441
_cell_length_c 9.60451
_cell_angle_alpha 59.00152
_cell_angle_beta 89.64290
_cell_angle_gamma 89.64584
_cell_volume 579.03651
_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
Na1 Na 0.74834 0.16323 0.17075 1.00000
Na2 Na 0.75166 0.82925 0.83677 1.00000
Na3 Na 0.25166 0.83677 0.82925 1.00000
Na4 Na 0.24834 0.17075 0.16323 1.00000
Na5 Na 0.25000 0.50034 0.49966 1.00000
Na6 Na 0.75000 0.49966 0.50034 1.00000
Bi1 Bi 0.53830 0.16555 0.50347 1.00000
Bi2 Bi 0.96170 0.49653 0.83445 1.00000
Bi3 Bi 0.46170 0.83445 0.49653 1.00000
Bi4 Bi 0.03830 0.50347 0.16555 1.00000
Pb1 Pb 0.52962 0.83257 0.16655 1.00000
Pb2 Pb 0.97038 0.83345 0.16743 1.00000
Pb3 Pb 0.47038 0.16743 0.83345 1.00000
Pb4 Pb 0.02962 0.16655 0.83257 1.00000
Pb5 Pb 0.97792 0.16657 0.50168 1.00000
Pb6 Pb 0.52208 0.49832 0.83343 1.00000
Pb7 Pb 0.02208 0.83343 0.49832 1.00000
Pb8 Pb 0.47792 0.50168 0.16657 1.00000
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