NpU2Tc
Alexandria ALEXAlex-ID: agm005695899 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_6950_spg62
U2Tc Np
2023-07-13 17:18:59.791672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695899).
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 agm005695899
data_agm005695899
_cell_length_a 9.03816
_cell_length_b 5.38348
_cell_length_c 6.37369
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 310.12303
_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
Np1 Np 0.75000 0.39586 0.57560 1.00000
Np2 Np 0.25000 0.89586 0.92440 1.00000
Np3 Np 0.25000 0.60414 0.42440 1.00000
Np4 Np 0.75000 0.10414 0.07560 1.00000
U1 U 0.93957 0.13687 0.76908 1.00000
U2 U 0.06043 0.63687 0.73092 1.00000
U3 U 0.43957 0.86313 0.23092 1.00000
U4 U 0.56043 0.36313 0.26908 1.00000
U5 U 0.06043 0.86313 0.23092 1.00000
U6 U 0.93957 0.36313 0.26908 1.00000
U7 U 0.56043 0.13687 0.76908 1.00000
U8 U 0.43957 0.63687 0.73092 1.00000
Tc1 Tc 0.75000 0.65236 0.90793 1.00000
Tc2 Tc 0.25000 0.15236 0.59207 1.00000
Tc3 Tc 0.25000 0.34764 0.09207 1.00000
Tc4 Tc 0.75000 0.84764 0.40793 1.00000
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