Cu4SnF8
Alexandria ALEXAlex-ID: agm098070932 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1816_spg1
CuSnF6 Cu7F12 Cu
2025-06-15 09:50:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098070932).
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 agm098070932
data_agm098070932
_cell_length_a 4.96575
_cell_length_b 7.41896
_cell_length_c 6.93039
_cell_angle_alpha 53.21651
_cell_angle_beta 101.21894
_cell_angle_gamma 107.73046
_cell_volume 194.74902
_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
Cu1 Cu 0.10612 0.73479 0.98821 1.00000
Cu2 Cu 0.80294 0.96183 0.62638 1.00000
Cu3 Cu 0.55119 0.56510 0.46546 1.00000
Cu4 Cu 0.42695 0.40290 0.06631 1.00000
Sn1 Sn 0.85389 0.10942 0.05796 1.00000
F1 F 0.64785 0.18016 0.28907 1.00000
F2 F 0.80076 0.15800 0.71078 1.00000
F3 F 0.83692 0.79016 0.51818 1.00000
F4 F 0.86739 0.74164 0.15832 1.00000
F5 F 0.52752 0.35964 0.82539 1.00000
F6 F 0.30798 0.41484 0.32005 1.00000
F7 F 0.44759 0.88074 0.15099 1.00000
F8 F 0.32291 0.70078 0.82290 1.00000
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