TbUF7
Alexandria ALEXAlex-ID: agm024243190 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_7_spg14
TbU3F15 TbF3
2025-01-02 11:45:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024243190).
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 agm024243190
data_agm024243190
_cell_length_a 9.33911
_cell_length_b 5.98037
_cell_length_c 12.65688
_cell_angle_alpha 90.00000
_cell_angle_beta 117.03693
_cell_angle_gamma 90.00000
_cell_volume 629.64879
_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 0.81696 0.25397 0.73193 1.00000
Tb2 Tb 0.18304 0.75397 0.76807 1.00000
Tb3 Tb 0.18304 0.74603 0.26807 1.00000
Tb4 Tb 0.81696 0.24603 0.23193 1.00000
U1 U 0.27277 0.25411 0.54505 1.00000
U2 U 0.72723 0.75411 0.95495 1.00000
U3 U 0.72723 0.74589 0.45495 1.00000
U4 U 0.27277 0.24589 0.04505 1.00000
F1 F 0.71114 0.51574 0.08088 1.00000
F2 F 0.28886 0.01574 0.41912 1.00000
F3 F 0.28886 0.48426 0.91912 1.00000
F4 F 0.71114 0.98426 0.58088 1.00000
F5 F 0.28134 0.55153 0.44392 1.00000
F6 F 0.71866 0.05153 0.05608 1.00000
F7 F 0.71866 0.44847 0.55608 1.00000
F8 F 0.28134 0.94847 0.94392 1.00000
F9 F 0.53078 0.23859 0.14743 1.00000
F10 F 0.46922 0.73859 0.35257 1.00000
F11 F 0.46922 0.76141 0.85257 1.00000
F12 F 0.53078 0.26141 0.64743 1.00000
F13 F 0.01505 0.24570 0.93813 1.00000
F14 F 0.98495 0.74570 0.56187 1.00000
F15 F 0.98495 0.75430 0.06187 1.00000
F16 F 0.01505 0.25430 0.43813 1.00000
F17 F 0.73685 0.01520 0.33956 1.00000
F18 F 0.26315 0.51520 0.16044 1.00000
F19 F 0.26315 0.98480 0.66044 1.00000
F20 F 0.73685 0.48480 0.83956 1.00000
F21 F 0.74980 0.97758 0.82430 1.00000
F22 F 0.25020 0.47758 0.67570 1.00000
F23 F 0.25020 0.02242 0.17570 1.00000
F24 F 0.74980 0.52242 0.32430 1.00000
F25 F 0.97977 0.54883 0.75842 1.00000
F26 F 0.02023 0.04883 0.74158 1.00000
F27 F 0.02023 0.45117 0.24158 1.00000
F28 F 0.97977 0.95117 0.25842 1.00000
