Zn(H2Os)4
Alexandria ALEXAlex-ID: agm006573993 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_157_spg12
ZnH8Os Os
2024-03-01 01:50:52.015411
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006573993).
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 agm006573993
data_agm006573993
_cell_length_a 5.04006
_cell_length_b 6.03894
_cell_length_c 5.41603
_cell_angle_alpha 99.35960
_cell_angle_beta 108.99136
_cell_angle_gamma 121.84280
_cell_volume 120.39958
_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
Zn1 Zn 0.00000 0.50000 0.00000 1.00000
H1 H 0.46522 0.76848 0.91343 1.00000
H2 H 0.59562 0.86445 0.49458 1.00000
H3 H 0.26930 0.46385 0.51595 1.00000
H4 H 0.82533 0.09703 0.25211 1.00000
H5 H 0.17467 0.90297 0.74789 1.00000
H6 H 0.73070 0.53615 0.48405 1.00000
H7 H 0.40438 0.13555 0.50542 1.00000
H8 H 0.53478 0.23152 0.08657 1.00000
Os1 Os 0.32825 0.25328 0.78898 1.00000
Os2 Os 0.67175 0.74672 0.21102 1.00000
Os3 Os 0.23308 0.23228 0.23920 1.00000
Os4 Os 0.76692 0.76772 0.76080 1.00000
获取直接链接