Rb(TeI3)2
Alexandria ALEXAlex-ID: agm097490256 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_13_spg12
TeI Rb2TeI6 TeI4
2025-04-08 14:52:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097490256).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097490256
data_agm097490256
_cell_length_a 9.66500
_cell_length_b 6.46079
_cell_length_c 11.01914
_cell_angle_alpha 85.07722
_cell_angle_beta 52.27765
_cell_angle_gamma 111.20481
_cell_volume 461.30840
_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 0.41018 0.24431 0.36851 1.00000
Te1 Te 0.00246 0.10663 0.13045 1.00000
Te2 Te 0.80546 0.84013 0.46602 1.00000
I1 I 0.39748 0.33179 0.03505 1.00000
I2 I 0.39031 0.69164 0.62046 1.00000
I3 I 0.95942 0.56910 0.17691 1.00000
I4 I 0.98837 0.59942 0.73104 1.00000
I5 I 0.66543 0.91675 0.14124 1.00000
I6 I 0.88088 0.20023 0.58033 1.00000
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