NbP2
Alexandria ALEXAlex-ID: agm005240108 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_113_spg109
NbP2
2023-05-06 01:19:33.495905
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240108).
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 agm005240108
data_agm005240108
_cell_length_a 7.13236
_cell_length_b 7.13236
_cell_length_c 7.13236
_cell_angle_alpha 129.20158
_cell_angle_beta 129.20158
_cell_angle_gamma 74.68644
_cell_volume 212.27294
_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
Nb1 Nb 0.87500 0.12500 0.75000 1.00000
Nb2 Nb 0.37500 0.12500 0.25000 1.00000
Nb3 Nb 0.87500 0.62500 0.75000 1.00000
Nb4 Nb 0.87500 0.12500 0.25000 1.00000
P1 P 0.52944 0.35098 0.17846 1.00000
P2 P 0.17251 0.35098 0.82154 1.00000
P3 P 0.10098 0.42251 0.32154 1.00000
P4 P 0.57749 0.89902 0.67846 1.00000
P5 P 0.22056 0.89902 0.32154 1.00000
P6 P 0.10098 0.77944 0.67846 1.00000
P7 P 0.64902 0.82749 0.17846 1.00000
P8 P 0.64902 0.47056 0.82154 1.00000
获取直接链接