LaVN3
Alexandria ALEXAlex-ID: agm003105134 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_3288_spg14
La2V2N5 N2
2020-07-04 10:46:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003105134).
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 agm003105134
data_agm003105134
_cell_length_a 17.10500
_cell_length_b 5.45208
_cell_length_c 7.13486
_cell_angle_alpha 90.00000
_cell_angle_beta 157.24707
_cell_angle_gamma 90.00000
_cell_volume 257.34169
_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
V1 V 0.10893 0.27647 0.55132 1.00000
V2 V 0.89107 0.72353 0.44868 1.00000
V3 V 0.39107 0.77647 0.94868 1.00000
V4 V 0.60893 0.22353 0.05132 1.00000
La1 La 0.39004 0.74509 0.40650 1.00000
La2 La 0.60996 0.25491 0.59350 1.00000
La3 La 0.10996 0.24509 0.09350 1.00000
La4 La 0.89004 0.75491 0.90650 1.00000
N1 N 0.24435 0.98570 0.79770 1.00000
N2 N 0.75565 0.01430 0.20230 1.00000
N3 N 0.25565 0.48570 0.70230 1.00000
N4 N 0.74435 0.51430 0.29770 1.00000
N5 N 0.38691 0.27760 0.42982 1.00000
N6 N 0.61309 0.72240 0.57018 1.00000
N7 N 0.11309 0.77760 0.07018 1.00000
N8 N 0.88691 0.22240 0.92982 1.00000
N9 N 0.53750 0.89345 0.04271 1.00000
N10 N 0.46250 0.10655 0.95729 1.00000
N11 N 0.96250 0.39345 0.45729 1.00000
N12 N 0.03750 0.60655 0.54271 1.00000
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