TbU2P3
Alexandria ALEXAlex-ID: agm033859640 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2988_spg70
TbUP2 UP
2025-04-15 08:10:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033859640).
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 agm033859640
data_agm033859640
_cell_length_a 13.14050
_cell_length_b 12.53033
_cell_length_c 6.87292
_cell_angle_alpha 79.43734
_cell_angle_beta 69.62064
_cell_angle_gamma 30.94202
_cell_volume 529.58990
_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
Tb1 Tb 0.91671 0.91671 0.08329 1.00000
Tb2 Tb 0.33329 0.33329 0.16671 1.00000
Tb3 Tb 0.16671 0.16671 0.33329 1.00000
Tb4 Tb 0.08329 0.08329 0.91671 1.00000
U1 U 0.00034 0.00034 0.49966 1.00000
U2 U 0.41612 0.41612 0.58388 1.00000
U3 U 0.83388 0.83388 0.66612 1.00000
U4 U 0.24966 0.24966 0.75034 1.00000
U5 U 0.75034 0.75034 0.24966 1.00000
U6 U 0.66612 0.66612 0.83388 1.00000
U7 U 0.58388 0.58388 0.41612 1.00000
U8 U 0.49966 0.49966 0.00034 1.00000
P1 P 0.66701 0.16822 0.82815 1.00000
P2 P 0.16822 0.66701 0.33662 1.00000
P3 P 0.58299 0.08178 0.42185 1.00000
P4 P 0.08178 0.58299 0.91338 1.00000
P5 P 0.50460 0.99540 0.99540 1.00000
P6 P 0.99540 0.50460 0.50460 1.00000
P7 P 0.91338 0.42185 0.08178 1.00000
P8 P 0.42185 0.91338 0.58299 1.00000
P9 P 0.33662 0.82815 0.16822 1.00000
P10 P 0.82815 0.33662 0.66701 1.00000
P11 P 0.74540 0.25460 0.25460 1.00000
P12 P 0.25460 0.74540 0.74540 1.00000
