KInF2
Alexandria ALEXAlex-ID: agm005804183 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1123_spg15
K3InF6 In
2023-07-12 01:20:37.844995
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804183).
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 agm005804183
data_agm005804183
_cell_length_a 3.70849
_cell_length_b 6.52659
_cell_length_c 7.89469
_cell_angle_alpha 108.18190
_cell_angle_beta 103.58379
_cell_angle_gamma 90.00032
_cell_volume 175.90627
_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
K1 K 0.54246 0.91873 0.57087 1.00000
K2 K 0.04248 0.41873 0.57088 1.00000
In1 In 0.04243 0.91870 0.07087 1.00000
In2 In 0.04243 0.41876 0.07088 1.00000
F1 F 0.16460 0.82791 0.78423 1.00000
F2 F 0.92033 0.00956 0.35753 1.00000
F3 F 0.45127 0.50955 0.35752 1.00000
F4 F 0.63368 0.32790 0.78422 1.00000
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