KTe2F9
Alexandria ALEXAlex-ID: agm003232192 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_15_spg2
KTe2F9
2021-12-10 21:10:33.781782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232192).
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 agm003232192
data_agm003232192
_cell_length_a 4.98992
_cell_length_b 9.51897
_cell_length_c 9.51501
_cell_angle_alpha 110.14851
_cell_angle_beta 95.57575
_cell_angle_gamma 96.39065
_cell_volume 417.18698
_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
F1 F 0.86401 0.63743 0.39682 1.00000
F2 F 0.13599 0.36257 0.60318 1.00000
F3 F 0.98054 0.76427 0.69934 1.00000
F4 F 0.01946 0.23573 0.30066 1.00000
F5 F 0.39324 0.31776 0.91048 1.00000
F6 F 0.60676 0.68224 0.08952 1.00000
F7 F 0.65565 0.34864 0.45981 1.00000
F8 F 0.34435 0.65136 0.54019 1.00000
F9 F 0.86088 0.35643 0.06096 1.00000
F10 F 0.13912 0.64357 0.93904 1.00000
F11 F 0.74930 0.25129 0.73900 1.00000
F12 F 0.25070 0.74871 0.26100 1.00000
F13 F 0.78627 0.91570 0.54607 1.00000
F14 F 0.21373 0.08430 0.45393 1.00000
F15 F 0.56276 0.84594 0.93132 1.00000
F16 F 0.43724 0.15406 0.06868 1.00000
F17 F 0.30905 0.03278 0.75569 1.00000
F18 F 0.69095 0.96722 0.24431 1.00000
K1 K 0.62038 0.54548 0.75564 1.00000
K2 K 0.37962 0.45452 0.24436 1.00000
Te1 Te 0.88878 0.19139 0.46479 1.00000
Te2 Te 0.11122 0.80861 0.53521 1.00000
Te3 Te 0.63736 0.17558 0.90492 1.00000
Te4 Te 0.36264 0.82442 0.09508 1.00000
