RbUCoO6
Alexandria ALEXAlex-ID: agm005069151 · 空间群: P312 (#149)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_77_spg149
Co3O4 Rb2U2O7 RbO12 UO3
2022-12-17 01:33:33.466591
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005069151).
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 agm005069151
data_agm005069151
_cell_length_a 5.29230
_cell_length_b 5.29244
_cell_length_c 6.38893
_cell_angle_alpha 90.00327
_cell_angle_beta 89.99692
_cell_angle_gamma 59.98832
_cell_volume 154.95575
_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
Rb1 Rb 0.99994 0.99999 0.99999 1.00000
U1 U 0.66662 0.66666 0.49999 1.00000
Co1 Co 0.33333 0.33336 0.49999 1.00000
O1 O 0.02681 0.36565 0.33280 1.00000
O2 O 0.36563 0.02685 0.66718 1.00000
O3 O 0.60745 0.36569 0.66717 1.00000
O4 O 0.02674 0.60761 0.66713 1.00000
O5 O 0.36566 0.60747 0.33280 1.00000
O6 O 0.60757 0.02678 0.33285 1.00000
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