YMnF7
Alexandria ALEXAlex-ID: agm024158280 · 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_8_spg4
YMnF7
2024-09-13 15:31:27.043100
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024158280).
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 agm024158280
data_agm024158280
_cell_length_a 5.50495
_cell_length_b 5.86993
_cell_length_c 8.01317
_cell_angle_alpha 77.57229
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 252.86758
_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
Y1 Y 0.76205 0.16152 0.31010 1.00000
Y2 Y 0.26205 0.83848 0.68990 1.00000
Mn1 Mn 0.75061 0.30939 0.77780 1.00000
Mn2 Mn 0.25061 0.69061 0.22220 1.00000
F1 F 0.73958 0.36625 0.54357 1.00000
F2 F 0.23958 0.63375 0.45643 1.00000
F3 F 0.48496 0.11332 0.79485 1.00000
F4 F 0.98496 0.88668 0.20515 1.00000
F5 F 0.95930 0.06102 0.79281 1.00000
F6 F 0.45930 0.93898 0.20719 1.00000
F7 F 0.00539 0.52064 0.76212 1.00000
F8 F 0.50539 0.47936 0.23788 1.00000
F9 F 0.75876 0.26440 0.01245 1.00000
F10 F 0.25876 0.73560 0.98755 1.00000
F11 F 0.57821 0.94084 0.52360 1.00000
F12 F 0.07821 0.05916 0.47640 1.00000
F13 F 0.53764 0.55165 0.77545 1.00000
F14 F 0.03764 0.44835 0.22455 1.00000
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