P4N7
Alexandria ALEXAlex-ID: agm005223644 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7_217_spg15
P3N5 N2
2023-05-09 03:03:50.082493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223644).
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 agm005223644
data_agm005223644
_cell_length_a 5.01378
_cell_length_b 5.01378
_cell_length_c 9.03396
_cell_angle_alpha 75.40747
_cell_angle_beta 75.40747
_cell_angle_gamma 93.54451
_cell_volume 210.76864
_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
P1 P 0.48830 0.97512 0.20277 1.00000
P2 P 0.02488 0.51170 0.29723 1.00000
P3 P 0.51170 0.02488 0.79723 1.00000
P4 P 0.97512 0.48830 0.70277 1.00000
P5 P 0.41658 0.25562 0.47574 1.00000
P6 P 0.74438 0.58342 0.02426 1.00000
P7 P 0.58342 0.74438 0.52426 1.00000
P8 P 0.25562 0.41658 0.97574 1.00000
N1 N 0.28019 0.15402 0.90260 1.00000
N2 N 0.84598 0.71981 0.59740 1.00000
N3 N 0.71981 0.84598 0.09740 1.00000
N4 N 0.15402 0.28019 0.40260 1.00000
N5 N 0.56721 0.00998 0.36928 1.00000
N6 N 0.99002 0.43279 0.13072 1.00000
N7 N 0.43279 0.99002 0.63072 1.00000
N8 N 0.00998 0.56721 0.86928 1.00000
N9 N 0.18060 0.81940 0.25000 1.00000
N10 N 0.81940 0.18060 0.75000 1.00000
N11 N 0.48932 0.30793 0.10149 1.00000
N12 N 0.69207 0.51068 0.39851 1.00000
N13 N 0.51068 0.69207 0.89851 1.00000
N14 N 0.30793 0.48932 0.60149 1.00000
