NdUF7
Alexandria ALEXAlex-ID: agm024205959 · 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
ABC7_7_spg14
NdU3F15 NdF3
2025-01-19 15:50:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024205959).
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 agm024205959
data_agm024205959
_cell_length_a 9.55775
_cell_length_b 6.09419
_cell_length_c 12.92931
_cell_angle_alpha 90.00000
_cell_angle_beta 117.34554
_cell_angle_gamma 90.00000
_cell_volume 668.93461
_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
Nd1 Nd 0.81500 0.25491 0.23253 1.00000
Nd2 Nd 0.18500 0.75491 0.26747 1.00000
Nd3 Nd 0.18500 0.74509 0.76747 1.00000
Nd4 Nd 0.81500 0.24509 0.73253 1.00000
U1 U 0.27349 0.25373 0.04424 1.00000
U2 U 0.72651 0.75373 0.45576 1.00000
U3 U 0.72651 0.74627 0.95576 1.00000
U4 U 0.27349 0.24627 0.54424 1.00000
F1 F 0.71098 0.52208 0.58020 1.00000
F2 F 0.28902 0.02208 0.91980 1.00000
F3 F 0.28902 0.47792 0.41980 1.00000
F4 F 0.71098 0.97792 0.08020 1.00000
F5 F 0.28460 0.54529 0.94642 1.00000
F6 F 0.71540 0.04529 0.55358 1.00000
F7 F 0.71540 0.45471 0.05358 1.00000
F8 F 0.28460 0.95471 0.44642 1.00000
F9 F 0.52700 0.23940 0.64621 1.00000
F10 F 0.47300 0.73940 0.85379 1.00000
F11 F 0.47300 0.76060 0.35379 1.00000
F12 F 0.52700 0.26060 0.14621 1.00000
F13 F 0.02040 0.24390 0.43941 1.00000
F14 F 0.97960 0.74390 0.06059 1.00000
F15 F 0.97960 0.75610 0.56059 1.00000
F16 F 0.02040 0.25610 0.93941 1.00000
F17 F 0.73607 0.01626 0.84605 1.00000
F18 F 0.26393 0.51626 0.65395 1.00000
F19 F 0.26393 0.98374 0.15395 1.00000
F20 F 0.73607 0.48374 0.34605 1.00000
F21 F 0.74928 0.97191 0.32811 1.00000
F22 F 0.25072 0.47191 0.17189 1.00000
F23 F 0.25072 0.02809 0.67189 1.00000
F24 F 0.74928 0.52809 0.82811 1.00000
F25 F 0.97625 0.55704 0.26002 1.00000
F26 F 0.02375 0.05704 0.23998 1.00000
F27 F 0.02375 0.44296 0.73998 1.00000
F28 F 0.97625 0.94296 0.76002 1.00000
