RbYC
Alexandria ALEXAlex-ID: agm003051666 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6_spg62
Y2C Y4C5 Rb
2015-08-26 17:56:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003051666).
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 agm003051666
data_agm003051666
_cell_length_a 8.60748
_cell_length_b 4.23604
_cell_length_c 8.96253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 326.78842
_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
Y1 Y 0.86131 0.25000 0.45205 1.00000
Y2 Y 0.63869 0.75000 0.95205 1.00000
Y3 Y 0.13869 0.75000 0.54795 1.00000
Y4 Y 0.36131 0.25000 0.04795 1.00000
C1 C 0.13133 0.25000 0.42185 1.00000
C2 C 0.36867 0.75000 0.92185 1.00000
C3 C 0.86867 0.75000 0.57815 1.00000
C4 C 0.63133 0.25000 0.07815 1.00000
Rb1 Rb 0.98165 0.25000 0.83307 1.00000
Rb2 Rb 0.51835 0.75000 0.33307 1.00000
Rb3 Rb 0.01835 0.75000 0.16693 1.00000
Rb4 Rb 0.48165 0.25000 0.66693 1.00000
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