TbUF7
Alexandria ALEXAlex-ID: agm024131698 · 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
2024-12-03 05:08:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024131698).
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 agm024131698
data_agm024131698
_cell_length_a 9.46635
_cell_length_b 6.11522
_cell_length_c 12.51159
_cell_angle_alpha 90.00000
_cell_angle_beta 117.83918
_cell_angle_gamma 90.00000
_cell_volume 640.45394
_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 0.27178 0.25129 0.54413 1.00000
Tb2 Tb 0.72822 0.75129 0.95587 1.00000
Tb3 Tb 0.72822 0.74871 0.45587 1.00000
Tb4 Tb 0.27178 0.24871 0.04413 1.00000
U1 U 0.80769 0.25180 0.73204 1.00000
U2 U 0.19231 0.75180 0.76796 1.00000
U3 U 0.19231 0.74820 0.26796 1.00000
U4 U 0.80769 0.24820 0.23204 1.00000
F1 F 0.71497 0.50062 0.07636 1.00000
F2 F 0.28503 0.00062 0.42364 1.00000
F3 F 0.28503 0.49938 0.92364 1.00000
F4 F 0.71497 0.99938 0.57636 1.00000
F5 F 0.28032 0.53565 0.43823 1.00000
F6 F 0.71968 0.03565 0.06177 1.00000
F7 F 0.71968 0.46435 0.56177 1.00000
F8 F 0.28032 0.96435 0.93823 1.00000
F9 F 0.53241 0.24601 0.14869 1.00000
F10 F 0.46759 0.74601 0.35131 1.00000
F11 F 0.46759 0.75399 0.85131 1.00000
F12 F 0.53241 0.25399 0.64869 1.00000
F13 F 0.01097 0.25105 0.93260 1.00000
F14 F 0.98903 0.75105 0.56740 1.00000
F15 F 0.98903 0.74895 0.06740 1.00000
F16 F 0.01097 0.24895 0.43260 1.00000
F17 F 0.74035 0.99676 0.33108 1.00000
F18 F 0.25965 0.49676 0.16892 1.00000
F19 F 0.25965 0.00324 0.66892 1.00000
F20 F 0.74035 0.50324 0.83108 1.00000
F21 F 0.75171 0.98163 0.82617 1.00000
F22 F 0.24829 0.48163 0.67383 1.00000
F23 F 0.24829 0.01837 0.17383 1.00000
F24 F 0.75171 0.51837 0.32617 1.00000
F25 F 0.98678 0.54099 0.75712 1.00000
F26 F 0.01322 0.04099 0.74288 1.00000
F27 F 0.01322 0.45901 0.24288 1.00000
F28 F 0.98678 0.95901 0.25712 1.00000
