K3CeF7
Alexandria ALEXAlex-ID: agm083369578 · 空间群: I4_1/a (#88)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_755_spg88
K5Ce2F13 KF
2025-02-24 00:55:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083369578).
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 agm083369578
data_agm083369578
_cell_length_a 11.30886
_cell_length_b 11.30886
_cell_length_c 11.30886
_cell_angle_alpha 131.16615
_cell_angle_beta 131.16615
_cell_angle_gamma 71.54923
_cell_volume 802.03751
_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 0.58387 0.12246 0.97949 1.00000
K2 K 0.87246 0.39297 0.03859 1.00000
K3 K 0.14297 0.60438 0.02051 1.00000
K4 K 0.35438 0.83387 0.96141 1.00000
K5 K 0.16613 0.12754 0.52051 1.00000
K6 K 0.87754 0.85703 0.46141 1.00000
K7 K 0.60703 0.64562 0.47949 1.00000
K8 K 0.39562 0.41613 0.53859 1.00000
K9 K 0.00000 0.00000 0.00000 1.00000
K10 K 0.75000 0.25000 0.50000 1.00000
K11 K 0.50000 0.50000 0.00000 1.00000
K12 K 0.25000 0.75000 0.50000 1.00000
Ce1 Ce 0.23145 0.23145 0.00000 1.00000
Ce2 Ce 0.98145 0.48145 0.50000 1.00000
Ce3 Ce 0.51855 0.01855 0.50000 1.00000
Ce4 Ce 0.76855 0.76855 0.00000 1.00000
F1 F 0.29642 0.08944 0.34733 1.00000
F2 F 0.83944 0.99212 0.29302 1.00000
F3 F 0.74212 0.94910 0.65267 1.00000
F4 F 0.69910 0.54642 0.70698 1.00000
F5 F 0.45358 0.16056 0.15267 1.00000
F6 F 0.91056 0.25788 0.20698 1.00000
F7 F 0.00788 0.30090 0.84733 1.00000
F8 F 0.05090 0.70358 0.79302 1.00000
F9 F 0.14319 0.27406 0.15142 1.00000
F10 F 0.02406 0.37263 0.63087 1.00000
F11 F 0.12263 0.99176 0.84858 1.00000
F12 F 0.74176 0.39319 0.36913 1.00000
F13 F 0.60681 0.97594 0.34858 1.00000
F14 F 0.72594 0.87737 0.86913 1.00000
F15 F 0.62737 0.25824 0.65142 1.00000
F16 F 0.00824 0.85681 0.13087 1.00000
F17 F 0.79361 0.58431 0.34205 1.00000
F18 F 0.33431 0.49227 0.29070 1.00000
F19 F 0.24227 0.45157 0.65795 1.00000
F20 F 0.20157 0.04361 0.70930 1.00000
F21 F 0.95639 0.66569 0.15795 1.00000
F22 F 0.41569 0.75773 0.20930 1.00000
F23 F 0.50773 0.79843 0.84205 1.00000
F24 F 0.54843 0.20639 0.79070 1.00000
F25 F 0.35496 0.35496 0.00000 1.00000
F26 F 0.10496 0.60496 0.50000 1.00000
F27 F 0.39504 0.89504 0.50000 1.00000
F28 F 0.64504 0.64504 0.00000 1.00000
