RbY(AuI3)2
Alexandria ALEXAlex-ID: agm004972091 · 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
ABC2D6_759_spg155
RbAuI2 YI3 AuI
2022-08-02 08:25:46.644472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972091).
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 agm004972091
data_agm004972091
_cell_length_a 7.93971
_cell_length_b 7.91876
_cell_length_c 9.77966
_cell_angle_alpha 89.92645
_cell_angle_beta 113.44316
_cell_angle_gamma 120.30871
_cell_volume 471.31457
_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 0.99678 0.49781 0.48024 1.00000
Y1 Y 0.99659 0.99783 0.98029 1.00000
Au1 Au 0.46128 0.73429 0.17631 1.00000
Au2 Au 0.53220 0.26166 0.78417 1.00000
I1 I 0.55061 0.92892 0.76902 1.00000
I2 I 0.44233 0.06656 0.19210 1.00000
I3 I 0.82154 0.75756 0.18962 1.00000
I4 I 0.13659 0.37903 0.18771 1.00000
I5 I 0.85649 0.61670 0.77254 1.00000
I6 I 0.17115 0.23730 0.77053 1.00000
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