Sr2CeF7
Alexandria ALEXAlex-ID: agm012736280 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_44_spg14
CeF3 SrF2
2025-02-03 13:46:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012736280).
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 agm012736280
data_agm012736280
_cell_length_a 5.59343
_cell_length_b 12.72572
_cell_length_c 8.56827
_cell_angle_alpha 90.00000
_cell_angle_beta 91.59710
_cell_angle_gamma 90.00000
_cell_volume 609.65670
_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
Sr1 Sr 0.26665 0.41741 0.12841 1.00000
Sr2 Sr 0.73335 0.91741 0.37159 1.00000
Sr3 Sr 0.73335 0.58259 0.87159 1.00000
Sr4 Sr 0.26665 0.08259 0.62841 1.00000
Sr5 Sr 0.24802 0.75576 0.11500 1.00000
Sr6 Sr 0.75198 0.25576 0.38500 1.00000
Sr7 Sr 0.75198 0.24424 0.88500 1.00000
Sr8 Sr 0.24802 0.74424 0.61500 1.00000
Ce1 Ce 0.77866 0.90810 0.86172 1.00000
Ce2 Ce 0.22134 0.40810 0.63828 1.00000
Ce3 Ce 0.22134 0.09190 0.13828 1.00000
Ce4 Ce 0.77866 0.59190 0.36172 1.00000
F1 F 0.80117 0.83858 0.11386 1.00000
F2 F 0.19883 0.33858 0.38614 1.00000
F3 F 0.19883 0.16142 0.88614 1.00000
F4 F 0.80117 0.66142 0.61386 1.00000
F5 F 0.51064 0.76308 0.87165 1.00000
F6 F 0.48936 0.26308 0.62835 1.00000
F7 F 0.48936 0.23692 0.12835 1.00000
F8 F 0.51064 0.73692 0.37165 1.00000
F9 F 0.32819 0.92533 0.23798 1.00000
F10 F 0.67181 0.42533 0.26202 1.00000
F11 F 0.67181 0.07467 0.76202 1.00000
F12 F 0.32819 0.57467 0.73798 1.00000
F13 F 0.00012 0.91597 0.62224 1.00000
F14 F 0.99988 0.41597 0.87776 1.00000
F15 F 0.99988 0.08403 0.37776 1.00000
F16 F 0.00012 0.58403 0.12224 1.00000
F17 F 0.01029 0.75252 0.36428 1.00000
F18 F 0.98971 0.25252 0.13572 1.00000
F19 F 0.98971 0.24748 0.63572 1.00000
F20 F 0.01029 0.74748 0.86428 1.00000
F21 F 0.19987 0.54788 0.43281 1.00000
F22 F 0.80013 0.04788 0.06719 1.00000
F23 F 0.80013 0.45212 0.56719 1.00000
F24 F 0.19987 0.95212 0.93281 1.00000
F25 F 0.50415 0.90389 0.61768 1.00000
F26 F 0.49585 0.40389 0.88232 1.00000
F27 F 0.49585 0.09611 0.38232 1.00000
F28 F 0.50415 0.59611 0.11768 1.00000
