SmMnF7
Alexandria ALEXAlex-ID: agm024148208 · 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
SmMnF7
2024-12-18 01:23:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024148208).
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 agm024148208
data_agm024148208
_cell_length_a 5.97634
_cell_length_b 5.53243
_cell_length_c 8.10069
_cell_angle_alpha 90.00000
_cell_angle_beta 101.79391
_cell_angle_gamma 90.00000
_cell_volume 262.18415
_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
Sm1 Sm 0.16442 0.29959 0.18905 1.00000
Sm2 Sm 0.83558 0.79959 0.81095 1.00000
Mn1 Mn 0.30636 0.28723 0.72123 1.00000
Mn2 Mn 0.69364 0.78723 0.27877 1.00000
F1 F 0.92783 0.13222 0.97093 1.00000
F2 F 0.07217 0.63222 0.02907 1.00000
F3 F 0.45565 0.57713 0.27908 1.00000
F4 F 0.54435 0.07713 0.72092 1.00000
F5 F 0.48906 0.04250 0.26258 1.00000
F6 F 0.51094 0.54250 0.73742 1.00000
F7 F 0.93875 0.99258 0.28909 1.00000
F8 F 0.06125 0.49258 0.71091 1.00000
F9 F 0.26112 0.29807 0.48983 1.00000
F10 F 0.73888 0.79807 0.51017 1.00000
F11 F 0.36078 0.27205 0.95319 1.00000
F12 F 0.63922 0.77205 0.04681 1.00000
F13 F 0.88510 0.52239 0.29457 1.00000
F14 F 0.11490 0.02239 0.70543 1.00000
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