ThUTc2
Alexandria ALEXAlex-ID: agm005687340 · 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_2123_spg33
Th2UTc3 Th3U2Tc7 U2Tc
2023-07-14 18:20:35.295256
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687340).
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 agm005687340
data_agm005687340
_cell_length_a 5.31050
_cell_length_b 6.17169
_cell_length_c 10.22653
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00861
_cell_angle_gamma 90.00000
_cell_volume 335.17176
_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
Th1 Th 0.75009 0.70844 0.34526 1.00000
Th2 Th 0.74991 0.20844 0.15474 1.00000
Th3 Th 0.24991 0.29156 0.65474 1.00000
Th4 Th 0.25009 0.79156 0.84526 1.00000
U1 U 0.25008 0.99631 0.36747 1.00000
U2 U 0.74992 0.00369 0.63253 1.00000
U3 U 0.24992 0.49631 0.13253 1.00000
U4 U 0.75008 0.50369 0.86747 1.00000
Tc1 Tc 0.74996 0.72157 0.05344 1.00000
Tc2 Tc 0.25004 0.27843 0.94656 1.00000
Tc3 Tc 0.75004 0.22157 0.44656 1.00000
Tc4 Tc 0.24996 0.77843 0.55344 1.00000
Tc5 Tc 0.75007 0.07687 0.86684 1.00000
Tc6 Tc 0.25007 0.42313 0.36684 1.00000
Tc7 Tc 0.74993 0.57687 0.63316 1.00000
Tc8 Tc 0.24993 0.92313 0.13316 1.00000
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