Na3(BiPb)4
Alexandria ALEXAlex-ID: agm003379082 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
NaBi2Pb NaBiPb Pb
2022-02-09 05:17:31.531721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379082).
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 agm003379082
data_agm003379082
_cell_length_a 3.48196
_cell_length_b 5.49183
_cell_length_c 18.64824
_cell_angle_alpha 81.95621
_cell_angle_beta 79.66261
_cell_angle_gamma 90.20233
_cell_volume 347.20772
_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 0.23287 0.64219 0.73021 1.00000
Na2 Na 0.76723 0.35784 0.26976 1.00000
Na3 Na 0.99991 0.99994 0.00011 1.00000
Bi1 Bi 0.59161 0.55631 0.91070 1.00000
Bi2 Bi 0.40839 0.44358 0.08934 1.00000
Bi3 Bi 0.11444 0.81404 0.36345 1.00000
Bi4 Bi 0.88576 0.18596 0.63651 1.00000
Pb1 Pb 0.63171 0.10070 0.81805 1.00000
Pb2 Pb 0.27653 0.27075 0.45398 1.00000
Pb3 Pb 0.72356 0.72935 0.54589 1.00000
Pb4 Pb 0.36813 0.89949 0.18200 1.00000
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