TbSnF7
Alexandria ALEXAlex-ID: agm024164036 · 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
TbSnF7
2024-08-26 01:24:30.351627
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024164036).
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 agm024164036
data_agm024164036
_cell_length_a 5.80221
_cell_length_b 6.05080
_cell_length_c 8.27261
_cell_angle_alpha 76.86648
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 282.83805
_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
Tb1 Tb 0.75436 0.65485 0.31011 1.00000
Tb2 Tb 0.25436 0.34515 0.68989 1.00000
Sn1 Sn 0.75930 0.81473 0.77371 1.00000
Sn2 Sn 0.25930 0.18527 0.22629 1.00000
F1 F 0.47841 0.52344 0.48980 1.00000
F2 F 0.97841 0.47656 0.51020 1.00000
F3 F 0.49303 0.93837 0.23740 1.00000
F4 F 0.99303 0.06163 0.76260 1.00000
F5 F 0.75598 0.77391 0.01931 1.00000
F6 F 0.25598 0.22609 0.98069 1.00000
F7 F 0.01872 0.94151 0.24315 1.00000
F8 F 0.51872 0.05849 0.75685 1.00000
F9 F 0.52155 0.40695 0.20403 1.00000
F10 F 0.02155 0.59305 0.79597 1.00000
F11 F 0.51952 0.57174 0.79705 1.00000
F12 F 0.01952 0.42826 0.20295 1.00000
F13 F 0.76105 0.86880 0.52725 1.00000
F14 F 0.26105 0.13120 0.47275 1.00000
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