KZnRhF6
Alexandria ALEXAlex-ID: agm005071925 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_3_spg74
KZnRhF6
2022-08-07 04:47:00.584018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005071925).
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 agm005071925
data_agm005071925
_cell_length_a 7.31512
_cell_length_b 7.36389
_cell_length_c 7.45313
_cell_angle_alpha 119.60468
_cell_angle_beta 119.38932
_cell_angle_gamma 90.00000
_cell_volume 288.15301
_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 0.91428 0.66428 0.82856 1.00000
K2 K 0.08572 0.33572 0.17144 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.00000 0.00000 1.00000
F1 F 0.42425 0.67425 0.84850 1.00000
F2 F 0.82112 0.07112 0.64224 1.00000
F3 F 0.82651 0.07659 0.24054 1.00000
F4 F 0.41403 0.66395 0.24054 1.00000
F5 F 0.41403 0.07659 0.24054 1.00000
F6 F 0.82651 0.66395 0.24054 1.00000
F7 F 0.57575 0.32575 0.15150 1.00000
F8 F 0.17888 0.92888 0.35776 1.00000
F9 F 0.17349 0.92341 0.75946 1.00000
F10 F 0.58597 0.33605 0.75946 1.00000
F11 F 0.58597 0.92341 0.75946 1.00000
F12 F 0.17349 0.33605 0.75946 1.00000
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