GeH10(N2F3)2
Alexandria ALEXAlex-ID: agm003248552 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6D10_1_spg14
GeH7N2F5 GeH8(NF3)2 H4NF N2
2021-12-20 05:36:06.374053
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003248552).
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 agm003248552
data_agm003248552
_cell_length_a 5.38538
_cell_length_b 6.05352
_cell_length_c 11.98018
_cell_angle_alpha 73.98224
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 375.39677
_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
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.00000 0.50000 1.00000
H1 H 0.03234 0.77161 0.81287 1.00000
H2 H 0.46766 0.77161 0.31287 1.00000
H3 H 0.96766 0.22839 0.18713 1.00000
H4 H 0.53234 0.22839 0.68713 1.00000
H5 H 0.00540 0.57703 0.73303 1.00000
H6 H 0.49460 0.57703 0.23303 1.00000
H7 H 0.99460 0.42297 0.26697 1.00000
H8 H 0.50540 0.42297 0.76697 1.00000
H9 H 0.84728 0.83001 0.69491 1.00000
H10 H 0.65272 0.83001 0.19491 1.00000
H11 H 0.15272 0.16999 0.30509 1.00000
H12 H 0.34728 0.16999 0.80509 1.00000
H13 H 0.61847 0.72034 0.86502 1.00000
H14 H 0.88153 0.72034 0.36502 1.00000
H15 H 0.38153 0.27966 0.13498 1.00000
H16 H 0.11847 0.27966 0.63498 1.00000
H17 H 0.77327 0.47645 0.90470 1.00000
H18 H 0.72673 0.47645 0.40470 1.00000
H19 H 0.22673 0.52355 0.09530 1.00000
H20 H 0.27327 0.52355 0.59530 1.00000
N1 N 0.90914 0.70022 0.76547 1.00000
N2 N 0.59086 0.70022 0.26547 1.00000
N3 N 0.09086 0.29978 0.23453 1.00000
N4 N 0.40914 0.29978 0.73453 1.00000
N5 N 0.69773 0.59428 0.83418 1.00000
N6 N 0.80227 0.59428 0.33418 1.00000
N7 N 0.30227 0.40572 0.16582 1.00000
N8 N 0.19773 0.40572 0.66582 1.00000
F1 F 0.88773 0.70575 0.05683 1.00000
F2 F 0.61227 0.70575 0.55683 1.00000
F3 F 0.11227 0.29425 0.94317 1.00000
F4 F 0.38773 0.29425 0.44317 1.00000
F5 F 0.23236 0.94740 0.11469 1.00000
F6 F 0.26764 0.94740 0.61469 1.00000
F7 F 0.76764 0.05260 0.88531 1.00000
F8 F 0.73236 0.05260 0.38531 1.00000
F9 F 0.78192 0.09775 0.09806 1.00000
F10 F 0.71808 0.09775 0.59806 1.00000
F11 F 0.21808 0.90225 0.90194 1.00000
F12 F 0.28192 0.90225 0.40194 1.00000
