CsMn2F7
Alexandria ALEXAlex-ID: agm002271237 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_16_spg65
CsMnF4 MnF3
2019-01-07 23:47:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002271237).
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 agm002271237
data_agm002271237
_cell_length_a 3.90564
_cell_length_b 7.09615
_cell_length_c 7.09585
_cell_angle_alpha 126.67317
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 157.73342
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.50000 0.66151 0.33847 1.00000
Mn2 Mn 0.50000 0.33849 0.66153 1.00000
F1 F 0.00000 0.68206 0.31793 1.00000
F2 F 0.00000 0.31794 0.68207 1.00000
F3 F 0.50000 0.05821 0.36286 1.00000
F4 F 0.50000 0.94179 0.63714 1.00000
F5 F 0.50000 0.36283 0.05817 1.00000
F6 F 0.50000 0.63717 0.94183 1.00000
F7 F 0.50000 0.50000 0.50000 1.00000
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