RbTlI3
Alexandria ALEXAlex-ID: agm003720573 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5013_spg11
RbI3 TlI RbI
2022-04-16 21:18:27.360098
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003720573).
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 agm003720573
data_agm003720573
_cell_length_a 5.09696
_cell_length_b 9.40246
_cell_length_c 10.38107
_cell_angle_alpha 79.15989
_cell_angle_beta 90.02280
_cell_angle_gamma 89.99194
_cell_volume 488.62433
_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 0.99252 0.20709 0.54139 1.00000
Rb2 Rb 0.49246 0.69719 0.24081 1.00000
Tl1 Tl 0.49205 0.62721 0.72231 1.00000
Tl2 Tl 0.99185 0.27716 0.05985 1.00000
I1 I 0.49259 0.28582 0.79123 1.00000
I2 I 0.99236 0.61857 0.99098 1.00000
I3 I 0.49228 0.28468 0.27167 1.00000
I4 I 0.49250 0.95256 0.72425 1.00000
I5 I 0.99229 0.95181 0.05800 1.00000
I6 I 0.99249 0.61971 0.51055 1.00000
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