Pb2N2Cl3
Alexandria ALEXAlex-ID: agm005555464 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_514_spg12
Pb(NCl)2 Pb PbCl2
2023-06-09 18:13:34.307560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005555464).
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 agm005555464
data_agm005555464
_cell_length_a 3.64864
_cell_length_b 9.66377
_cell_length_c 12.64982
_cell_angle_alpha 61.72860
_cell_angle_beta 34.72835
_cell_angle_gamma 58.79579
_cell_volume 216.28447
_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
Pb1 Pb 0.93785 0.29017 0.87883 1.00000
Pb2 Pb 0.06215 0.70983 0.12117 1.00000
N1 N 0.71476 0.94827 0.45723 1.00000
N2 N 0.28524 0.05173 0.54277 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
Cl2 Cl 0.80936 0.39675 0.21670 1.00000
Cl3 Cl 0.19064 0.60325 0.78330 1.00000
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