RbTlF3
Alexandria ALEXAlex-ID: agm003063501 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1490_spg12
RbTlF3
2015-09-30 06:43:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003063501).
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 agm003063501
data_agm003063501
_cell_length_a 16.20751
_cell_length_b 6.90880
_cell_length_c 6.90880
_cell_angle_alpha 140.88120
_cell_angle_beta 146.99676
_cell_angle_gamma 33.00324
_cell_volume 222.55389
_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
Tl1 Tl 0.91195 0.95727 0.04273 1.00000
Tl2 Tl 0.08805 0.04273 0.95727 1.00000
Rb1 Rb 0.61701 0.01041 0.98959 1.00000
Rb2 Rb 0.38299 0.98959 0.01041 1.00000
F1 F 0.81356 0.23926 0.76074 1.00000
F2 F 0.18644 0.76074 0.23926 1.00000
F3 F 0.96029 0.37690 0.62310 1.00000
F4 F 0.03971 0.62310 0.37690 1.00000
F5 F 0.38228 0.77829 0.22171 1.00000
F6 F 0.61772 0.22171 0.77829 1.00000
