HoSnF7
Alexandria ALEXAlex-ID: agm024142789 · 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
HoSnF7
2024-08-26 00:59:16.100729
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024142789).
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 agm024142789
data_agm024142789
_cell_length_a 5.77470
_cell_length_b 6.00258
_cell_length_c 8.22979
_cell_angle_alpha 76.64856
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 277.55963
_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
Ho1 Ho 0.75579 0.65345 0.81028 1.00000
Ho2 Ho 0.25579 0.34655 0.18972 1.00000
Sn1 Sn 0.75794 0.81592 0.27347 1.00000
Sn2 Sn 0.25794 0.18408 0.72653 1.00000
F1 F 0.49516 0.50894 0.99573 1.00000
F2 F 0.99516 0.49106 0.00427 1.00000
F3 F 0.49302 0.93409 0.74007 1.00000
F4 F 0.99302 0.06591 0.25993 1.00000
F5 F 0.75637 0.77555 0.52023 1.00000
F6 F 0.25637 0.22445 0.47977 1.00000
F7 F 0.01740 0.93774 0.74222 1.00000
F8 F 0.51740 0.06226 0.25778 1.00000
F9 F 0.51719 0.41207 0.70293 1.00000
F10 F 0.01719 0.58793 0.29707 1.00000
F11 F 0.51109 0.57593 0.29792 1.00000
F12 F 0.01109 0.42407 0.70208 1.00000
F13 F 0.75795 0.87069 0.02584 1.00000
F14 F 0.25795 0.12931 0.97416 1.00000
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