Ac2P2PbN6
Alexandria ALEXAlex-ID: agm004574147 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
Ac3(PN3)2 P3N5 Pb PbN2
2022-06-24 08:01:16.267608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004574147).
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 agm004574147
data_agm004574147
_cell_length_a 7.15415
_cell_length_b 5.83723
_cell_length_c 6.10136
_cell_angle_alpha 105.30534
_cell_angle_beta 75.01996
_cell_angle_gamma 65.34092
_cell_volume 202.63945
_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
Ac1 Ac 0.82180 0.41338 0.78294 1.00000
Ac2 Ac 0.17820 0.58662 0.21706 1.00000
P1 P 0.24023 0.72544 0.74521 1.00000
P2 P 0.75977 0.27456 0.25479 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
N1 N 0.39561 0.73277 0.88759 1.00000
N2 N 0.84742 0.48705 0.26194 1.00000
N3 N 0.16889 0.91533 0.60257 1.00000
N4 N 0.15258 0.51295 0.73806 1.00000
N5 N 0.83111 0.08467 0.39743 1.00000
N6 N 0.60439 0.26723 0.11241 1.00000
Get direct link