RbLiScI5
Alexandria ALEXAlex-ID: agm005067945 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD5_28_spg15
Rb3Sc2I9 LiI ScI3
2022-07-12 21:20:41.966785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005067945).
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 agm005067945
data_agm005067945
_cell_length_a 8.39865
_cell_length_b 8.39865
_cell_length_c 11.08271
_cell_angle_alpha 102.92748
_cell_angle_beta 102.92748
_cell_angle_gamma 107.63253
_cell_volume 689.45549
_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 0.34764 0.65236 0.25000 1.00000
Rb2 Rb 0.65236 0.34764 0.75000 1.00000
Li1 Li 0.69174 0.30826 0.25000 1.00000
Li2 Li 0.30826 0.69174 0.75000 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
I1 I 0.07075 0.92925 0.25000 1.00000
I2 I 0.92925 0.07075 0.75000 1.00000
I3 I 0.91030 0.29965 0.09887 1.00000
I4 I 0.08970 0.70035 0.90113 1.00000
I5 I 0.70035 0.08970 0.40113 1.00000
I6 I 0.29965 0.91030 0.59887 1.00000
I7 I 0.76898 0.63562 0.43481 1.00000
I8 I 0.23102 0.36438 0.56519 1.00000
I9 I 0.36438 0.23102 0.06519 1.00000
I10 I 0.63562 0.76898 0.93481 1.00000
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