Cu2H7O
Alexandria ALEXAlex-ID: agm006194136 · 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_1319_spg1
CuH4 H4O Cu
2023-11-28 13:24:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006194136).
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 agm006194136
data_agm006194136
_cell_length_a 2.64010
_cell_length_b 8.25224
_cell_length_c 8.38181
_cell_angle_alpha 26.51998
_cell_angle_beta 88.97945
_cell_angle_gamma 88.70993
_cell_volume 81.51656
_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 0.33393 0.45742 0.33240 1.00000
H2 H 0.48331 0.59350 0.69219 1.00000
H3 H 0.97230 0.18588 0.26162 1.00000
H4 H 0.46463 0.75529 0.81152 1.00000
H5 H 0.51961 0.96361 0.03879 1.00000
H6 H 0.54376 0.31381 0.48402 1.00000
H7 H 0.86931 0.25496 0.85075 1.00000
Cu1 Cu 0.97379 0.66985 0.74931 1.00000
Cu2 Cu 0.46416 0.25928 0.31801 1.00000
O1 O 0.87520 0.04640 0.96138 1.00000
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