Rb3CeI6
Alexandria ALEXAlex-ID: agm017004729 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_7_spg12
Rb3CeI6
2024-11-08 18:25:36.071293
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017004729).
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 agm017004729
data_agm017004729
_cell_length_a 9.39581
_cell_length_b 9.39581
_cell_length_c 9.39581
_cell_angle_alpha 57.56377
_cell_angle_beta 57.56377
_cell_angle_gamma 57.56377
_cell_volume 553.67391
_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 0.81621 0.81621 0.81621 1.00000
Rb2 Rb 0.52991 0.52991 0.52991 1.00000
Rb3 Rb 0.02136 0.02136 0.02136 1.00000
Ce1 Ce 0.32356 0.32356 0.32356 1.00000
I1 I 0.98286 0.20324 0.56505 1.00000
I2 I 0.56505 0.98286 0.20324 1.00000
I3 I 0.20324 0.56505 0.98286 1.00000
I4 I 0.11949 0.66962 0.43088 1.00000
I5 I 0.43088 0.11949 0.66962 1.00000
I6 I 0.66962 0.43088 0.11949 1.00000
