Na6LiPb8
Alexandria ALEXAlex-ID: agm072144028 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_580_spg12
NaLi5Pb6 NaPb3 NaPb
2024-10-06 19:43:32.188100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072144028).
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 agm072144028
data_agm072144028
_cell_length_a 8.68043
_cell_length_b 7.12187
_cell_length_c 8.54504
_cell_angle_alpha 90.05978
_cell_angle_beta 114.89347
_cell_angle_gamma 114.21572
_cell_volume 427.27641
_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 0.51256 0.75616 0.00615 1.00000
Na2 Na 0.24651 0.12331 0.53136 1.00000
Na3 Na 0.74006 0.36964 0.45749 1.00000
Na4 Na 0.48744 0.24384 0.99385 1.00000
Na5 Na 0.75349 0.87669 0.46864 1.00000
Na6 Na 0.25994 0.63036 0.54251 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.90405 0.21685 0.20547 1.00000
Pb2 Pb 0.09595 0.78315 0.79453 1.00000
Pb3 Pb 0.66602 0.08880 0.76351 1.00000
Pb4 Pb 0.90367 0.68607 0.20494 1.00000
Pb5 Pb 0.33474 0.42245 0.23718 1.00000
Pb6 Pb 0.33398 0.91120 0.23649 1.00000
Pb7 Pb 0.09633 0.31393 0.79506 1.00000
Pb8 Pb 0.66526 0.57755 0.76282 1.00000
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