K2Na5Pb2
Alexandria ALEXAlex-ID: agm003314520 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_410_spg46
Na15Pb4 K KPb
2022-01-20 10:02:04.015584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314520).
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 agm003314520
data_agm003314520
_cell_length_a 10.53284
_cell_length_b 8.34046
_cell_length_c 10.90093
_cell_angle_alpha 112.49217
_cell_angle_beta 118.88916
_cell_angle_gamma 90.00000
_cell_volume 754.19151
_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
K1 K 0.17196 0.63560 0.24224 1.00000
K2 K 0.82804 0.39336 0.75776 1.00000
K3 K 0.57028 0.13560 0.24224 1.00000
K4 K 0.42972 0.89336 0.75776 1.00000
Na1 Na 0.23243 0.58412 0.86550 1.00000
Na2 Na 0.76757 0.71863 0.13450 1.00000
Na3 Na 0.13307 0.08412 0.86550 1.00000
Na4 Na 0.86693 0.21863 0.13450 1.00000
Na5 Na 0.25352 0.17126 0.28774 1.00000
Na6 Na 0.74648 0.88352 0.71226 1.00000
Na7 Na 0.53422 0.67126 0.28774 1.00000
Na8 Na 0.46578 0.38352 0.71226 1.00000
Na9 Na 0.91373 0.61999 0.50000 1.00000
Na10 Na 0.08627 0.11999 0.50000 1.00000
Pb1 Pb 1.00000 0.85334 1.00000 1.00000
Pb2 Pb 0.50000 0.35334 1.00000 1.00000
Pb3 Pb 0.18178 0.47619 0.50000 1.00000
Pb4 Pb 0.81822 0.97619 0.50000 1.00000
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