La2ZnN
Alexandria ALEXAlex-ID: agm005688218 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2317_spg8
La4N3 La3ZnN LaZn2
2023-07-13 05:31:07.491820
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688218).
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 agm005688218
data_agm005688218
_cell_length_a 5.12253
_cell_length_b 6.89649
_cell_length_c 6.89649
_cell_angle_alpha 66.24033
_cell_angle_beta 68.19883
_cell_angle_gamma 68.19883
_cell_volume 199.86428
_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 0.43407 0.85808 0.27378 1.00000
La2 La 0.56593 0.22622 0.64192 1.00000
La3 La 0.85835 0.58146 0.70183 1.00000
La4 La 0.14165 0.79817 0.91854 1.00000
Zn1 Zn 0.82280 0.20191 0.15250 1.00000
Zn2 Zn 0.17720 0.34750 0.29809 1.00000
N1 N 0.36751 0.62602 0.63896 1.00000
N2 N 0.63249 0.86104 0.87398 1.00000
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