Rb6CeI12
Alexandria ALEXAlex-ID: agm006126754 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_74_spg148
RbI3 Rb2CeI6 RbI
2023-08-26 13:37:16.415458
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126754).
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 agm006126754
data_agm006126754
_cell_length_a 10.30159
_cell_length_b 10.30159
_cell_length_c 10.30159
_cell_angle_alpha 97.71215
_cell_angle_beta 97.71214
_cell_angle_gamma 97.71213
_cell_volume 1060.57210
_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 0.15498 0.27882 0.63013 1.00000
Rb2 Rb 0.72118 0.36987 0.84502 1.00000
Rb3 Rb 0.36987 0.84502 0.72118 1.00000
Rb4 Rb 0.84502 0.72118 0.36987 1.00000
Rb5 Rb 0.27882 0.63013 0.15498 1.00000
Rb6 Rb 0.63013 0.15498 0.27882 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
I1 I 0.46995 0.15511 0.57840 1.00000
I2 I 0.15511 0.57840 0.46995 1.00000
I3 I 0.57840 0.46995 0.15511 1.00000
I4 I 0.53005 0.84489 0.42160 1.00000
I5 I 0.84489 0.42160 0.53005 1.00000
I6 I 0.42160 0.53005 0.84489 1.00000
I7 I 0.01496 0.93885 0.70416 1.00000
I8 I 0.29584 0.98504 0.06115 1.00000
I9 I 0.06115 0.29584 0.98504 1.00000
I10 I 0.98504 0.06115 0.29584 1.00000
I11 I 0.70416 0.01496 0.93885 1.00000
I12 I 0.93885 0.70416 0.01496 1.00000
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