NaUVN3
Alexandria ALEXAlex-ID: agm024056992 · 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
ABCD3_414_spg11
NaUN2 VN
2024-10-14 19:41:16.791804
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024056992).
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 agm024056992
data_agm024056992
_cell_length_a 3.28655
_cell_length_b 5.44116
_cell_length_c 8.25969
_cell_angle_alpha 90.21026
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 147.70420
_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
Na1 Na 0.75000 0.77365 0.50666 1.00000
Na2 Na 0.25000 0.22635 0.49334 1.00000
U1 U 0.75000 0.42023 0.83096 1.00000
U2 U 0.25000 0.57977 0.16904 1.00000
V1 V 0.75000 0.07575 0.13776 1.00000
V2 V 0.25000 0.92425 0.86224 1.00000
N1 N 0.25000 0.92254 0.27702 1.00000
N2 N 0.75000 0.07746 0.72298 1.00000
N3 N 0.75000 0.39584 0.29204 1.00000
N4 N 0.25000 0.60416 0.70796 1.00000
N5 N 0.25000 0.23473 0.00282 1.00000
N6 N 0.75000 0.76527 0.99718 1.00000
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