RbCdF3
Alexandria ALEXAlex-ID: agm003063391 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_17_spg63
RbCdF3
2015-11-11 22:23:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003063391).
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 agm003063391
data_agm003063391
_cell_length_a 4.45378
_cell_length_b 6.73989
_cell_length_c 6.65140
_cell_angle_alpha 90.00000
_cell_angle_beta 105.76571
_cell_angle_gamma 90.00000
_cell_volume 192.15085
_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
F1 F 0.39411 0.47868 0.25534 1.00000
F2 F 0.60589 0.52132 0.74466 1.00000
F3 F 0.39411 0.02132 0.25534 1.00000
F4 F 0.60589 0.97868 0.74466 1.00000
F5 F 0.00804 0.25000 0.54003 1.00000
F6 F 0.99196 0.75000 0.45997 1.00000
Rb1 Rb 0.82513 0.25000 0.09764 1.00000
Rb2 Rb 0.17487 0.75000 0.90236 1.00000
Cd1 Cd 0.50321 0.25000 0.53216 1.00000
Cd2 Cd 0.49679 0.75000 0.46784 1.00000
