Y4N3F
Alexandria ALEXAlex-ID: agm006040468 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_8_spg65
Y6N5 Y YF3
2023-10-01 17:13:39.003248
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006040468).
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 agm006040468
data_agm006040468
_cell_length_a 3.47529
_cell_length_b 6.04133
_cell_length_c 6.04133
_cell_angle_alpha 71.02423
_cell_angle_beta 89.99566
_cell_angle_gamma 89.99566
_cell_volume 119.94699
_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
Y1 Y 0.99996 0.76995 0.73014 1.00000
Y2 Y 0.50007 0.75892 0.25880 1.00000
Y3 Y 0.99996 0.23028 0.26981 1.00000
Y4 Y 0.49984 0.24129 0.74117 1.00000
F1 F 0.49998 0.50019 0.99989 1.00000
N1 N 0.49995 0.00010 0.49998 1.00000
N2 N 0.99995 0.00010 0.99999 1.00000
N3 N 0.99995 0.50010 0.49998 1.00000
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