Ca11U5O24
Alexandria ALEXAlex-ID: agm008609809 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B11C24_6_spg5
Ca11U5O24
2024-10-15 17:54:09.669392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008609809).
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 agm008609809
data_agm008609809
_cell_length_a 9.27153
_cell_length_b 9.27153
_cell_length_c 10.75380
_cell_angle_alpha 55.01372
_cell_angle_beta 55.01372
_cell_angle_gamma 70.60179
_cell_volume 620.48899
_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
Ca1 Ca 0.49529 0.99350 0.79042 1.00000
Ca2 Ca 0.00650 0.50471 0.20958 1.00000
Ca3 Ca 0.71568 0.71177 0.03537 1.00000
Ca4 Ca 0.21862 0.22019 0.53293 1.00000
Ca5 Ca 0.03487 0.96513 0.00000 1.00000
Ca6 Ca 0.46461 0.53539 0.50000 1.00000
Ca7 Ca 0.77981 0.78138 0.46707 1.00000
Ca8 Ca 0.28823 0.28432 0.96463 1.00000
Ca9 Ca 0.99611 0.50009 0.71792 1.00000
Ca10 Ca 0.49991 0.00389 0.28208 1.00000
Ca11 Ca 0.53265 0.46735 0.00000 1.00000
U1 U 0.74548 0.25073 0.75590 1.00000
U2 U 0.96410 0.03590 0.50000 1.00000
U3 U 0.25349 0.75260 0.24637 1.00000
U4 U 0.24740 0.74651 0.75363 1.00000
U5 U 0.74927 0.25452 0.24410 1.00000
O1 O 0.99625 0.75250 0.96108 1.00000
O2 O 0.77511 0.98238 0.77023 1.00000
O3 O 0.53612 0.20461 0.00665 1.00000
O4 O 0.72150 0.03771 0.50826 1.00000
O5 O 0.46486 0.79486 0.24541 1.00000
O6 O 0.29529 0.96417 0.74187 1.00000
O7 O 0.01762 0.22489 0.22977 1.00000
O8 O 0.24750 0.00375 0.03892 1.00000
O9 O 0.71254 0.45744 0.29180 1.00000
O10 O 0.46263 0.71061 0.03409 1.00000
O11 O 0.19549 0.97981 0.51955 1.00000
O12 O 0.95882 0.20986 0.79208 1.00000
O13 O 0.02019 0.80451 0.48045 1.00000
O14 O 0.28939 0.53737 0.96591 1.00000
O15 O 0.79014 0.04118 0.20792 1.00000
O16 O 0.54256 0.28746 0.70820 1.00000
O17 O 0.24799 0.50268 0.45973 1.00000
O18 O 0.49310 0.25505 0.29230 1.00000
O19 O 0.20514 0.53514 0.75459 1.00000
O20 O 0.03583 0.70471 0.25813 1.00000
O21 O 0.79539 0.46388 0.99335 1.00000
O22 O 0.96229 0.27850 0.49174 1.00000
O23 O 0.49732 0.75201 0.54027 1.00000
O24 O 0.74495 0.50690 0.70770 1.00000
