RbTbHgI6
Alexandria ALEXAlex-ID: agm005099552 · 空间群: P312 (#149)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_14_spg149
Rb3TbI6 HgI2 TbI3
2022-12-22 18:32:50.888040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099552).
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 agm005099552
data_agm005099552
_cell_length_a 7.92508
_cell_length_b 7.92275
_cell_length_c 8.17729
_cell_angle_alpha 89.98845
_cell_angle_beta 89.98502
_cell_angle_gamma 60.00016
_cell_volume 444.65228
_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 0.99998 1.00000 0.99999 1.00000
Tb1 Tb 0.66676 0.66657 0.50001 1.00000
Hg1 Hg 0.33326 0.33337 0.50002 1.00000
I1 I 0.99808 0.37561 0.28136 1.00000
I2 I 0.37565 0.99811 0.71853 1.00000
I3 I 0.62620 0.37566 0.71871 1.00000
I4 I 0.99804 0.62633 0.71855 1.00000
I5 I 0.37562 0.62625 0.28148 1.00000
I6 I 0.62618 0.99815 0.28126 1.00000
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