YNpF7
Alexandria ALEXAlex-ID: agm024175848 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
NpF4 YF3
2025-01-02 10:16:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024175848).
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 agm024175848
data_agm024175848
_cell_length_a 6.18633
_cell_length_b 6.14018
_cell_length_c 8.47492
_cell_angle_alpha 90.00000
_cell_angle_beta 102.54466
_cell_angle_gamma 90.00000
_cell_volume 314.23640
_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 0.32403 0.29450 0.73430 1.00000
Y2 Y 0.67597 0.79450 0.26570 1.00000
Np1 Np 0.14976 0.29714 0.19670 1.00000
Np2 Np 0.85024 0.79714 0.80330 1.00000
F1 F 0.98159 0.07568 0.99000 1.00000
F2 F 0.01841 0.57568 0.01000 1.00000
F3 F 0.40019 0.56574 0.25709 1.00000
F4 F 0.59981 0.06574 0.74291 1.00000
F5 F 0.40209 0.03094 0.24859 1.00000
F6 F 0.59791 0.53094 0.75141 1.00000
F7 F 0.92949 0.05054 0.28822 1.00000
F8 F 0.07051 0.55054 0.71178 1.00000
F9 F 0.26707 0.29914 0.46886 1.00000
F10 F 0.73293 0.79914 0.53114 1.00000
F11 F 0.35714 0.30075 0.99519 1.00000
F12 F 0.64286 0.80075 0.00481 1.00000
F13 F 0.89707 0.50986 0.28175 1.00000
F14 F 0.10293 0.00986 0.71825 1.00000
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