La3PbN
Alexandria ALEXAlex-ID: agm003106911 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_20_spg148
La3PbN
2016-02-12 11:50:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003106911).
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 agm003106911
data_agm003106911
_cell_length_a 7.80973
_cell_length_b 7.80973
_cell_length_c 7.80973
_cell_angle_alpha 54.88511
_cell_angle_beta 54.88511
_cell_angle_gamma 54.88511
_cell_volume 296.71341
_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
Pb1 Pb 0.37543 0.37543 0.37543 1.00000
Pb2 Pb 0.62457 0.62457 0.62457 1.00000
N1 N 0.16659 0.16659 0.16659 1.00000
N2 N 0.83341 0.83341 0.83341 1.00000
La1 La 0.42319 0.01356 0.84084 1.00000
La2 La 0.01356 0.84084 0.42319 1.00000
La3 La 0.15916 0.57681 0.98644 1.00000
La4 La 0.98644 0.15916 0.57681 1.00000
La5 La 0.57681 0.98644 0.15916 1.00000
La6 La 0.84084 0.42319 0.01356 1.00000
