SmGeF7
Alexandria ALEXAlex-ID: agm024111801 · 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
SmGeF7
2024-10-12 16:55:50.601726
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024111801).
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 agm024111801
data_agm024111801
_cell_length_a 5.54543
_cell_length_b 5.97584
_cell_length_c 8.08805
_cell_angle_alpha 77.94770
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 262.11875
_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 0.75316 0.16418 0.80926 1.00000
Sm2 Sm 0.25316 0.83582 0.19074 1.00000
Ge1 Ge 0.76646 0.30722 0.27820 1.00000
Ge2 Ge 0.26646 0.69278 0.72180 1.00000
F1 F 0.42140 0.07369 0.97194 1.00000
F2 F 0.92140 0.92631 0.02806 1.00000
F3 F 0.48852 0.46636 0.72398 1.00000
F4 F 0.98852 0.53364 0.27602 1.00000
F5 F 0.75623 0.26709 0.50725 1.00000
F6 F 0.25623 0.73291 0.49275 1.00000
F7 F 0.02600 0.47653 0.73974 1.00000
F8 F 0.52600 0.52347 0.26026 1.00000
F9 F 0.51921 0.89574 0.70265 1.00000
F10 F 0.01921 0.10426 0.29735 1.00000
F11 F 0.55003 0.07412 0.29064 1.00000
F12 F 0.05003 0.92588 0.70936 1.00000
F13 F 0.78088 0.35715 0.04823 1.00000
F14 F 0.28088 0.64285 0.95177 1.00000
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