CeSnF7
Alexandria ALEXAlex-ID: agm024203344 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_80_spg2
Ce3SnF15 SnF3
2024-08-26 01:46:56.708211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024203344).
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
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# CIF generated by HEAS from Alexandria entry agm024203344
data_agm024203344
_cell_length_a 5.96499
_cell_length_b 6.23250
_cell_length_c 8.50977
_cell_angle_alpha 76.97338
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 308.22411
_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
Ce1 Ce 0.75439 0.15810 0.80919 1.00000
Ce2 Ce 0.25439 0.84190 0.19081 1.00000
Sn1 Sn 0.76079 0.31244 0.27531 1.00000
Sn2 Sn 0.26079 0.68756 0.72469 1.00000
F1 F 0.46031 0.04200 0.98500 1.00000
F2 F 0.96031 0.95800 0.01500 1.00000
F3 F 0.50079 0.45730 0.73530 1.00000
F4 F 0.00079 0.54270 0.26470 1.00000
F5 F 0.75733 0.27752 0.51497 1.00000
F6 F 0.25733 0.72248 0.48503 1.00000
F7 F 0.03325 0.44191 0.74658 1.00000
F8 F 0.53325 0.55809 0.25342 1.00000
F9 F 0.50635 0.91457 0.70170 1.00000
F10 F 0.00635 0.08543 0.29830 1.00000
F11 F 0.51960 0.08298 0.29558 1.00000
F12 F 0.01960 0.91702 0.70442 1.00000
F13 F 0.76906 0.36098 0.03464 1.00000
F14 F 0.26906 0.63902 0.96536 1.00000
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