SrU3F15
Alexandria ALEXAlex-ID: agm022535554 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C15_4_spg15
SrU3F15
2024-12-24 05:20:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022535554).
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 agm022535554
data_agm022535554
_cell_length_a 8.84217
_cell_length_b 8.84217
_cell_length_c 8.80763
_cell_angle_alpha 79.72783
_cell_angle_beta 100.27217
_cell_angle_gamma 79.16867
_cell_volume 649.32312
_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
Sr1 Sr 0.82399 0.82399 0.25000 1.00000
Sr2 Sr 0.17601 0.17601 0.75000 1.00000
U1 U 0.24732 0.24732 0.25000 1.00000
U2 U 0.75268 0.75268 0.75000 1.00000
U3 U 0.25092 0.67739 0.67594 1.00000
U4 U 0.67739 0.25092 0.82406 1.00000
U5 U 0.74908 0.32261 0.32406 1.00000
U6 U 0.32261 0.74908 0.17594 1.00000
F1 F 0.52293 0.52293 0.25000 1.00000
F2 F 0.25735 0.94796 0.97677 1.00000
F3 F 0.94796 0.25735 0.52323 1.00000
F4 F 0.74265 0.05204 0.02323 1.00000
F5 F 0.05204 0.74265 0.47677 1.00000
F6 F 0.47707 0.47707 0.75000 1.00000
F7 F 0.22302 0.27796 0.00557 1.00000
F8 F 0.99323 0.27399 0.22238 1.00000
F9 F 0.22097 0.49894 0.22328 1.00000
F10 F 0.50106 0.77903 0.72328 1.00000
F11 F 0.72601 0.00677 0.72238 1.00000
F12 F 0.72204 0.77698 0.50557 1.00000
F13 F 0.77698 0.72204 0.99443 1.00000
F14 F 0.00677 0.72601 0.77762 1.00000
F15 F 0.77903 0.50106 0.77672 1.00000
F16 F 0.49894 0.22097 0.27672 1.00000
F17 F 0.27399 0.99323 0.27762 1.00000
F18 F 0.27796 0.22302 0.49443 1.00000
F19 F 0.68539 0.34851 0.05717 1.00000
F20 F 0.07295 0.80199 0.15112 1.00000
F21 F 0.17276 0.46275 0.69145 1.00000
F22 F 0.53725 0.82724 0.19145 1.00000
F23 F 0.19801 0.92705 0.65112 1.00000
F24 F 0.65149 0.31461 0.55717 1.00000
F25 F 0.31461 0.65149 0.94283 1.00000
F26 F 0.92705 0.19801 0.84888 1.00000
F27 F 0.82724 0.53725 0.30855 1.00000
F28 F 0.46275 0.17276 0.80855 1.00000
F29 F 0.80199 0.07295 0.34888 1.00000
F30 F 0.34851 0.68539 0.44283 1.00000
