VPb2N3
Alexandria ALEXAlex-ID: agm005281286 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_729_spg36
PbN2 Pb VN
2023-05-05 07:26:46.674360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281286).
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 agm005281286
data_agm005281286
_cell_length_a 8.13511
_cell_length_b 8.13511
_cell_length_c 5.31671
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 138.63577
_cell_volume 232.52393
_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
V1 V 0.67435 0.67435 0.98712 1.00000
V2 V 0.32565 0.32565 0.48712 1.00000
Pb1 Pb 0.07267 0.34933 0.96889 1.00000
Pb2 Pb 0.34933 0.07267 0.96889 1.00000
Pb3 Pb 0.92733 0.65067 0.46889 1.00000
Pb4 Pb 0.65067 0.92733 0.46889 1.00000
N1 N 0.07774 0.27081 0.40329 1.00000
N2 N 0.27081 0.07774 0.40329 1.00000
N3 N 0.92226 0.72919 0.90329 1.00000
N4 N 0.72919 0.92226 0.90329 1.00000
N5 N 0.62898 0.62898 0.34052 1.00000
N6 N 0.37102 0.37102 0.84052 1.00000
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