TbU5C6
Alexandria ALEXAlex-ID: agm006137366 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_83_spg12
UC TbUC2
2023-08-21 04:10:27.523796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006137366).
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 agm006137366
data_agm006137366
_cell_length_a 6.09211
_cell_length_b 6.06441
_cell_length_c 6.05901
_cell_angle_alpha 59.97050
_cell_angle_beta 80.41575
_cell_angle_gamma 70.56733
_cell_volume 182.76210
_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
U1 U 0.50000 0.16219 0.67561 1.00000
U2 U 0.00000 0.33161 0.33679 1.00000
U3 U 0.50000 0.50000 0.00000 1.00000
U4 U 1.00000 0.66839 0.66321 1.00000
U5 U 0.50000 0.83781 0.32439 1.00000
C1 C 0.73725 0.08826 0.34969 1.00000
C2 C 0.26275 0.56204 0.34969 1.00000
C3 C 0.24996 0.27073 0.00000 1.00000
C4 C 0.75004 0.72927 1.00000 1.00000
C5 C 0.73725 0.43796 0.65031 1.00000
C6 C 0.26275 0.91174 0.65031 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
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