NaUS2
Alexandria ALEXAlex-ID: agm005673226 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_59_spg15
Na2US3 US
2023-07-12 07:36:29.528313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673226).
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 agm005673226
data_agm005673226
_cell_length_a 6.88241
_cell_length_b 7.08163
_cell_length_c 8.84250
_cell_angle_alpha 105.58430
_cell_angle_beta 104.68924
_cell_angle_gamma 109.79221
_cell_volume 361.27970
_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 0.43365 0.68365 0.36729 1.00000
Na2 Na 0.19086 0.44086 0.88173 1.00000
Na3 Na 0.56635 0.31635 0.63271 1.00000
Na4 Na 0.80914 0.55914 0.11827 1.00000
U1 U 0.31545 0.06545 0.13089 1.00000
U2 U 0.68455 0.93455 0.86911 1.00000
U3 U 0.05992 0.80992 0.61985 1.00000
U4 U 0.94008 0.19008 0.38015 1.00000
S1 S 0.56889 0.83571 0.12449 1.00000
S2 S 0.05560 0.28878 0.12449 1.00000
S3 S 0.43111 0.16429 0.87551 1.00000
S4 S 0.94440 0.71122 0.87551 1.00000
S5 S 0.30339 0.57007 0.62451 1.00000
S6 S 0.17887 0.94556 0.37549 1.00000
S7 S 0.69661 0.42993 0.37549 1.00000
S8 S 0.82113 0.05444 0.62451 1.00000
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