TmSnF7
Alexandria ALEXAlex-ID: agm024211308 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_80_spg2
TmSnF7
2024-08-26 00:57:27.724726
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024211308).
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 agm024211308
data_agm024211308
_cell_length_a 5.73405
_cell_length_b 5.95594
_cell_length_c 8.17496
_cell_angle_alpha 76.51061
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 271.48632
_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
Tm1 Tm 0.75000 0.65156 0.31076 1.00000
Tm2 Tm 0.25000 0.34844 0.68924 1.00000
Sn1 Sn 0.75000 0.81794 0.77288 1.00000
Sn2 Sn 0.25000 0.18206 0.22712 1.00000
F1 F 0.50000 0.50000 0.50000 1.00000
F2 F 0.00000 0.50000 0.50000 1.00000
F3 F 0.48859 0.93108 0.24150 1.00000
F4 F 0.98859 0.06892 0.75850 1.00000
F5 F 0.75000 0.77551 0.02139 1.00000
F6 F 0.25000 0.22449 0.97861 1.00000
F7 F 0.01141 0.93108 0.24150 1.00000
F8 F 0.51141 0.06892 0.75850 1.00000
F9 F 0.50595 0.41688 0.20308 1.00000
F10 F 0.00595 0.58312 0.79692 1.00000
F11 F 0.49405 0.58312 0.79692 1.00000
F12 F 0.99405 0.41688 0.20308 1.00000
F13 F 0.75000 0.87285 0.52368 1.00000
F14 F 0.25000 0.12715 0.47632 1.00000
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