Zn2H7C
Alexandria ALEXAlex-ID: agm006201245 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_926_spg1
H4C Zn ZnH2
2023-11-12 00:55:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201245).
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 agm006201245
data_agm006201245
_cell_length_a 10.24724
_cell_length_b 9.82929
_cell_length_c 12.98522
_cell_angle_alpha 159.37784
_cell_angle_beta 21.70878
_cell_angle_gamma 157.29469
_cell_volume 155.67628
_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 0.04770 0.44813 0.07448 1.00000
H2 H 0.88999 0.95059 0.77197 1.00000
H3 H 0.10210 0.43387 0.88784 1.00000
H4 H 0.90427 0.13592 0.18678 1.00000
H5 H 0.52866 0.93288 0.51501 1.00000
H6 H 0.63110 0.27861 0.17856 1.00000
H7 H 0.15333 0.73215 0.84452 1.00000
Zn1 Zn 0.34308 0.09868 0.86407 1.00000
Zn2 Zn 0.71429 0.76871 0.16680 1.00000
C1 C 0.91786 0.27785 0.97814 1.00000
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