Ac4S3F7
Alexandria ALEXAlex-ID: agm005697202 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C7_34_spg12
Ac2SF4 AcSF AcS13
2023-06-29 16:11:39.348393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697202).
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 agm005697202
data_agm005697202
_cell_length_a 4.26894
_cell_length_b 8.36527
_cell_length_c 8.36702
_cell_angle_alpha 74.52344
_cell_angle_beta 75.22017
_cell_angle_gamma 75.21700
_cell_volume 272.76228
_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
Ac1 Ac 0.66429 0.43910 0.23232 1.00000
Ac2 Ac 0.33571 0.56090 0.76768 1.00000
Ac3 Ac 0.90002 0.89726 0.30269 1.00000
Ac4 Ac 0.09998 0.10274 0.69731 1.00000
S1 S 0.30483 0.17938 0.21096 1.00000
S2 S 0.69517 0.82062 0.78904 1.00000
S3 S 0.00000 0.50000 0.50000 1.00000
F1 F 0.31147 0.86110 0.51597 1.00000
F2 F 0.48874 0.24885 0.77366 1.00000
F3 F 0.82697 0.42520 0.92086 1.00000
F4 F 0.68853 0.13890 0.48403 1.00000
F5 F 0.17303 0.57480 0.07914 1.00000
F6 F 0.00000 0.00000 0.00000 1.00000
F7 F 0.51126 0.75115 0.22634 1.00000
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