Zn2H7N
Alexandria ALEXAlex-ID: agm006201997 · 空间群: P2 (#3)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1188_spg3
H9N H3N Zn
2024-02-01 11:12:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201997).
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 agm006201997
data_agm006201997
_cell_length_a 7.24940
_cell_length_b 10.03951
_cell_length_c 11.45271
_cell_angle_alpha 155.59563
_cell_angle_beta 18.43675
_cell_angle_gamma 154.15099
_cell_volume 104.69381
_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
H1 H 0.30060 0.56050 0.00284 1.00000
H2 H 0.16475 0.15254 0.73288 1.00000
H3 H 0.93899 0.38900 0.95651 1.00000
H4 H 0.98520 0.35648 0.24144 1.00000
H5 H 0.45927 0.85590 0.50362 1.00000
H6 H 0.57548 0.32208 0.25312 1.00000
H7 H 0.92984 0.35429 0.76733 1.00000
Zn1 Zn 0.22792 0.03566 0.90772 1.00000
Zn2 Zn 0.66187 0.67494 0.11316 1.00000
N1 N 0.98848 0.35600 0.98955 1.00000
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