P4N7
Alexandria ALEXAlex-ID: agm005244227 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_364_spg14
P3N5 N2
2024-10-06 09:56:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244227).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005244227
data_agm005244227
_cell_length_a 5.03088
_cell_length_b 7.24536
_cell_length_c 15.63194
_cell_angle_alpha 91.45214
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 569.61001
_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 0.30508 0.76909 0.95390 1.00000
P2 P 0.80508 0.23091 0.54610 1.00000
P3 P 0.69492 0.23091 0.04610 1.00000
P4 P 0.19492 0.76909 0.45390 1.00000
P5 P 0.67981 0.95612 0.20153 1.00000
P6 P 0.17981 0.04388 0.29847 1.00000
P7 P 0.32019 0.04388 0.79847 1.00000
P8 P 0.82019 0.95612 0.70153 1.00000
P9 P 0.25315 0.47507 0.80904 1.00000
P10 P 0.75315 0.52493 0.69096 1.00000
P11 P 0.74685 0.52493 0.19096 1.00000
P12 P 0.24685 0.47507 0.30904 1.00000
P13 P 0.80988 0.82036 0.05520 1.00000
P14 P 0.30988 0.17964 0.44480 1.00000
P15 P 0.19012 0.17964 0.94480 1.00000
P16 P 0.69012 0.82036 0.55520 1.00000
N1 N 0.73899 0.74362 0.15527 1.00000
N2 N 0.23899 0.25638 0.34473 1.00000
N3 N 0.26101 0.25638 0.84473 1.00000
N4 N 0.76101 0.74362 0.65527 1.00000
N5 N 0.11103 0.78398 0.03432 1.00000
N6 N 0.61103 0.21602 0.46568 1.00000
N7 N 0.88897 0.21602 0.96568 1.00000
N8 N 0.38897 0.78398 0.53432 1.00000
N9 N 0.61025 0.77331 0.98099 1.00000
N10 N 0.11025 0.22669 0.51901 1.00000
N11 N 0.38975 0.22669 0.01901 1.00000
N12 N 0.88975 0.77331 0.48099 1.00000
N13 N 0.25413 0.59487 0.89373 1.00000
N14 N 0.75413 0.40513 0.60627 1.00000
N15 N 0.74587 0.40513 0.10627 1.00000
N16 N 0.24587 0.59487 0.39373 1.00000
N17 N 0.49511 0.49686 0.74649 1.00000
N18 N 0.99511 0.50314 0.75351 1.00000
N19 N 0.50489 0.50314 0.25351 1.00000
N20 N 0.00489 0.49686 0.24649 1.00000
N21 N 0.87715 0.01659 0.27514 1.00000
N22 N 0.37715 0.98341 0.22486 1.00000
N23 N 0.12285 0.98341 0.72486 1.00000
N24 N 0.62285 0.01659 0.77514 1.00000
N25 N 0.24867 0.96542 0.89807 1.00000
N26 N 0.74867 0.03458 0.60193 1.00000
N27 N 0.75133 0.03458 0.10193 1.00000
N28 N 0.25133 0.96542 0.39807 1.00000
