K8Cu3H8
Alexandria ALEXAlex-ID: agm006367114 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8C8_0_spg12
Cu KH
2023-12-27 12:58:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006367114).
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 agm006367114
data_agm006367114
_cell_length_a 5.50890
_cell_length_b 8.44615
_cell_length_c 10.86406
_cell_angle_alpha 110.99455
_cell_angle_beta 104.68696
_cell_angle_gamma 90.00000
_cell_volume 454.20133
_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 0.10103 0.02823 0.20207 1.00000
H2 H 0.89897 0.97177 0.79793 1.00000
H3 H 0.17518 0.38540 0.35036 1.00000
H4 H 0.82482 0.61460 0.64964 1.00000
H5 H 0.24693 0.16684 0.49387 1.00000
H6 H 0.75307 0.83316 0.50613 1.00000
H7 H 0.47345 0.64850 0.94690 1.00000
H8 H 0.52655 0.35150 0.05310 1.00000
K1 K 0.03303 0.28382 0.06606 1.00000
K2 K 0.96697 0.71618 0.93394 1.00000
K3 K 0.32386 0.52745 0.64771 1.00000
K4 K 0.67614 0.47255 0.35229 1.00000
K5 K 0.40241 0.05867 0.80482 1.00000
K6 K 0.59759 0.94133 0.19518 1.00000
K7 K 0.20174 0.81610 0.40347 1.00000
K8 K 0.79826 0.18390 0.59653 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.17365 0.19038 0.34731 1.00000
Cu3 Cu 0.82635 0.80962 0.65269 1.00000
获取直接链接