NdUF7
Alexandria ALEXAlex-ID: agm024285876 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
NdU3F15 NdF3
2025-01-19 11:57:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024285876).
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
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# CIF generated by HEAS from Alexandria entry agm024285876
data_agm024285876
_cell_length_a 6.42584
_cell_length_b 6.18990
_cell_length_c 8.75585
_cell_angle_alpha 90.00000
_cell_angle_beta 103.24269
_cell_angle_gamma 90.00000
_cell_volume 339.00520
_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 0.14986 0.29702 0.68691 1.00000
Nd2 Nd 0.85014 0.79702 0.31309 1.00000
U1 U 0.31490 0.29668 0.22551 1.00000
U2 U 0.68510 0.79668 0.77449 1.00000
F1 F 0.00077 0.04786 0.49922 1.00000
F2 F 0.99923 0.54786 0.50078 1.00000
F3 F 0.42531 0.55833 0.75524 1.00000
F4 F 0.57469 0.05833 0.24476 1.00000
F5 F 0.43046 0.04108 0.75487 1.00000
F6 F 0.56954 0.54108 0.24513 1.00000
F7 F 0.92547 0.05546 0.79419 1.00000
F8 F 0.07453 0.55546 0.20581 1.00000
F9 F 0.27478 0.29667 0.97375 1.00000
F10 F 0.72522 0.79667 0.02625 1.00000
F11 F 0.35936 0.29912 0.47777 1.00000
F12 F 0.64064 0.79912 0.52223 1.00000
F13 F 0.91931 0.53163 0.79396 1.00000
F14 F 0.08069 0.03163 0.20604 1.00000
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