La3Pr5N8
Alexandria ALEXAlex-ID: agm009140643 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C8_3_spg166
LaPr4N5 LaN
2024-04-07 18:22:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009140643).
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
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# CIF generated by HEAS from Alexandria entry agm009140643
data_agm009140643
_cell_length_a 7.43008
_cell_length_b 7.43008
_cell_length_c 7.43008
_cell_angle_alpha 59.98502
_cell_angle_beta 59.98502
_cell_angle_gamma 59.98502
_cell_volume 289.94686
_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 0.00000 0.00000 0.50000 1.00000
La2 La 0.50000 0.00000 0.00000 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
Pr1 Pr 0.50000 0.00000 0.50000 1.00000
Pr2 Pr 0.00000 0.50000 0.50000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.50000 0.50000 0.00000 1.00000
Pr5 Pr 0.50000 0.50000 0.50000 1.00000
N1 N 0.74898 0.25000 0.25000 1.00000
N2 N 0.25000 0.74898 0.25000 1.00000
N3 N 0.25000 0.25000 0.74898 1.00000
N4 N 0.74939 0.74939 0.74939 1.00000
N5 N 0.25102 0.75000 0.75000 1.00000
N6 N 0.75000 0.25102 0.75000 1.00000
N7 N 0.75000 0.75000 0.25102 1.00000
N8 N 0.25061 0.25061 0.25061 1.00000
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