RbAsAuI6
Alexandria ALEXAlex-ID: agm005099366 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_127_spg1
RbAuI3 AsI3
2022-12-21 15:51:06.716003
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099366).
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 agm005099366
data_agm005099366
_cell_length_a 7.53344
_cell_length_b 7.53701
_cell_length_c 7.56228
_cell_angle_alpha 79.75434
_cell_angle_beta 100.21293
_cell_angle_gamma 73.02483
_cell_volume 391.95682
_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 0.12401 0.12388 0.00018 1.00000
As1 As 0.67756 0.67761 0.49995 1.00000
Au1 Au 0.31573 0.31599 0.50003 1.00000
I1 I 0.93080 0.37710 0.37316 1.00000
I2 I 0.37704 0.93101 0.62675 1.00000
I3 I 0.58981 0.35116 0.77252 1.00000
I4 I 0.96352 0.66993 0.77199 1.00000
I5 I 0.35103 0.59001 0.22743 1.00000
I6 I 0.67025 0.96336 0.22789 1.00000
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