La4I5N2
Alexandria ALEXAlex-ID: agm005656566 · 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
A2B4C5_975_spg12
La2I3N La2I2N
2023-06-22 08:51:36.974880
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656566).
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 agm005656566
data_agm005656566
_cell_length_a 4.03414
_cell_length_b 8.07111
_cell_length_c 13.44363
_cell_angle_alpha 114.80383
_cell_angle_beta 98.62921
_cell_angle_gamma 90.00000
_cell_volume 391.87905
_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 0.39782 0.14897 0.79565 1.00000
La2 La 0.95430 0.60781 0.90860 1.00000
La3 La 0.60218 0.85103 0.20435 1.00000
La4 La 0.04570 0.39219 0.09140 1.00000
I1 I 0.81872 0.26386 0.63744 1.00000
I2 I 0.18128 0.73614 0.36256 1.00000
I3 I 0.85203 0.79153 0.70406 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.14797 0.20847 0.29594 1.00000
N1 N 0.95259 0.31362 0.90519 1.00000
N2 N 0.04741 0.68638 0.09481 1.00000
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