TlInF3
Alexandria ALEXAlex-ID: agm002209656 · 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_573_spg12
TlInF4 Tl2InF5 In
2018-07-10 19:00:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002209656).
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 agm002209656
data_agm002209656
_cell_length_a 4.41712
_cell_length_b 5.66270
_cell_length_c 8.34842
_cell_angle_alpha 81.79936
_cell_angle_beta 105.34068
_cell_angle_gamma 89.99897
_cell_volume 199.16204
_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 0.81282 0.24184 0.12562 1.00000
Tl2 Tl 0.18718 0.75816 0.87438 1.00000
F1 F 0.67739 0.02874 0.85517 1.00000
F2 F 0.41980 0.46395 0.33964 1.00000
F3 F 0.92922 0.80398 0.35817 1.00000
F4 F 0.07078 0.19601 0.64183 1.00000
F5 F 0.32260 0.97126 0.14483 1.00000
F6 F 0.58020 0.53605 0.66036 1.00000
In1 In 0.54434 0.19085 0.58898 1.00000
In2 In 0.45566 0.80915 0.41102 1.00000
获取直接链接