Mn3Pb3N5
Alexandria ALEXAlex-ID: agm005238259 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_25_spg2
PbN2 Pb MnN
2023-05-09 03:30:28.791646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238259).
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 agm005238259
data_agm005238259
_cell_length_a 5.68368
_cell_length_b 7.46166
_cell_length_c 8.33911
_cell_angle_alpha 103.44266
_cell_angle_beta 99.76296
_cell_angle_gamma 96.51415
_cell_volume 334.64895
_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
Mn1 Mn 0.93476 0.32228 0.97078 1.00000
Mn2 Mn 0.06524 0.67772 0.02922 1.00000
Mn3 Mn 0.68363 0.99132 0.59666 1.00000
Mn4 Mn 0.31637 0.00868 0.40334 1.00000
Mn5 Mn 0.07969 0.92575 0.72377 1.00000
Mn6 Mn 0.92031 0.07425 0.27623 1.00000
Pb1 Pb 0.76061 0.44010 0.54355 1.00000
Pb2 Pb 0.23939 0.55990 0.45645 1.00000
Pb3 Pb 0.56678 0.80592 0.86365 1.00000
Pb4 Pb 0.43322 0.19408 0.13635 1.00000
Pb5 Pb 0.62207 0.66881 0.22671 1.00000
Pb6 Pb 0.37793 0.33119 0.77329 1.00000
N1 N 0.92357 0.13793 0.77592 1.00000
N2 N 0.07643 0.86207 0.22408 1.00000
N3 N 0.82308 0.78821 0.57406 1.00000
N4 N 0.17692 0.21179 0.42594 1.00000
N5 N 0.77217 0.52333 0.97119 1.00000
N6 N 0.22783 0.47667 0.02881 1.00000
N7 N 0.34723 0.94998 0.60744 1.00000
N8 N 0.65277 0.05002 0.39256 1.00000
N9 N 0.11859 0.80828 0.88731 1.00000
N10 N 0.88141 0.19172 0.11269 1.00000
