SmV3N4
Alexandria ALEXAlex-ID: agm017995015 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_367_spg31
VN SmN
2024-10-22 02:34:09.598177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017995015).
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 agm017995015
data_agm017995015
_cell_length_a 6.24238
_cell_length_b 3.97317
_cell_length_c 7.99834
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 198.37511
_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
Sm1 Sm 0.61922 0.93559 0.50000 1.00000
Sm2 Sm 0.38078 0.43559 0.00000 1.00000
V1 V 0.12109 0.43560 0.50000 1.00000
V2 V 0.14264 0.93559 0.25948 1.00000
V3 V 0.85736 0.43559 0.24052 1.00000
V4 V 0.87891 0.93560 0.00000 1.00000
V5 V 0.85736 0.43559 0.75948 1.00000
V6 V 0.14264 0.93559 0.74052 1.00000
N1 N 0.21905 0.93559 0.50000 1.00000
N2 N 0.81980 0.43559 0.50000 1.00000
N3 N 0.82240 0.93559 0.24735 1.00000
N4 N 0.17760 0.43559 0.25265 1.00000
N5 N 0.18020 0.93559 0.00000 1.00000
N6 N 0.78095 0.43559 0.00000 1.00000
N7 N 0.17760 0.43559 0.74735 1.00000
N8 N 0.82240 0.93559 0.75265 1.00000
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