Na2Pb3
Alexandria ALEXAlex-ID: agm005529752 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_169_spg15
NaPb3 NaPb
2023-05-27 04:59:51.555176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005529752).
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
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# CIF generated by HEAS from Alexandria entry agm005529752
data_agm005529752
_cell_length_a 6.16854
_cell_length_b 6.63327
_cell_length_c 8.84667
_cell_angle_alpha 109.89542
_cell_angle_beta 90.00005
_cell_angle_gamma 117.70830
_cell_volume 295.85376
_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 0.64503 0.60283 0.35309 1.00000
Na2 Na 0.04220 0.39717 0.14691 1.00000
Na3 Na 0.95780 0.60283 0.85309 1.00000
Na4 Na 0.35497 0.39717 0.64691 1.00000
Pb1 Pb 0.16977 0.00000 0.25000 1.00000
Pb2 Pb 0.83023 1.00000 0.75000 1.00000
Pb3 Pb 0.23493 0.80524 0.55366 1.00000
Pb4 Pb 0.42969 0.19476 0.94634 1.00000
Pb5 Pb 0.57031 0.80524 0.05366 1.00000
Pb6 Pb 0.76507 0.19476 0.44634 1.00000
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