La5Pr2N5
Alexandria ALEXAlex-ID: agm005647404 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_175_spg12
Pr6N5 La4N3 Pr
2023-06-21 18:29:44.452781
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647404).
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 agm005647404
data_agm005647404
_cell_length_a 6.50813
_cell_length_b 6.50813
_cell_length_c 13.22324
_cell_angle_alpha 81.27616
_cell_angle_beta 81.27616
_cell_angle_gamma 31.94690
_cell_volume 292.64595
_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
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.35211 0.35211 0.06305 1.00000
La3 La 0.27752 0.27752 0.38011 1.00000
La4 La 0.72248 0.72248 0.61989 1.00000
La5 La 0.64789 0.64789 0.93695 1.00000
Pr1 Pr 0.92677 0.92677 0.82696 1.00000
Pr2 Pr 0.07323 0.07323 0.17304 1.00000
N1 N 0.85766 0.85766 0.46862 1.00000
N2 N 0.30862 0.30862 0.89301 1.00000
N3 N 0.69138 0.69138 0.10699 1.00000
N4 N 0.14234 0.14234 0.53138 1.00000
N5 N 0.00000 0.00000 0.00000 1.00000
获取直接链接