PbNF3
Alexandria ALEXAlex-ID: agm005774633 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1179_spg11
Pb(NF2)2 Pb(NF)2 PbF3
2023-07-07 21:25:11.807754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774633).
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 agm005774633
data_agm005774633
_cell_length_a 4.40090
_cell_length_b 8.75852
_cell_length_c 6.52767
_cell_angle_alpha 91.19644
_cell_angle_beta 90.28980
_cell_angle_gamma 59.80327
_cell_volume 217.41699
_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 0.93400 0.40084 0.50783 1.00000
Pb2 Pb 0.43387 0.90084 0.50700 1.00000
N1 N 0.43147 0.39495 0.11248 1.00000
N2 N 0.93832 0.89700 0.00292 1.00000
F1 F 0.22864 0.10422 0.29656 1.00000
F2 F 0.22174 0.11471 0.71324 1.00000
F3 F 0.43376 0.40182 0.61904 1.00000
F4 F 0.64266 0.69024 0.29593 1.00000
F5 F 0.93403 0.90064 0.50499 1.00000
F6 F 0.64217 0.69386 0.71240 1.00000
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