Rb3SrO8
Alexandria ALEXAlex-ID: agm005969701 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_46_spg121
Rb2O3 SrO RbO4
2023-09-12 05:43:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969701).
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
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# CIF generated by HEAS from Alexandria entry agm005969701
data_agm005969701
_cell_length_a 6.95365
_cell_length_b 6.96134
_cell_length_c 6.96214
_cell_angle_alpha 65.81804
_cell_angle_beta 79.56948
_cell_angle_gamma 114.13677
_cell_volume 254.78773
_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 0.74961 0.50014 0.75025 1.00000
Rb2 Rb 0.24947 0.49986 0.25039 1.00000
Rb3 Rb 0.49965 0.00000 0.50018 1.00000
Sr1 Sr 0.99993 1.00000 0.00001 1.00000
O1 O 0.04144 1.00000 0.63459 1.00000
O2 O 0.63454 0.67561 0.36543 1.00000
O3 O 0.95893 0.32439 0.04104 1.00000
O4 O 0.36580 1.00000 0.95867 1.00000
O5 O 0.83904 1.00000 0.69897 1.00000
O6 O 0.69926 0.53809 0.30085 1.00000
O7 O 0.16117 0.46191 0.83894 1.00000
O8 O 0.30133 1.00000 0.16082 1.00000
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