U2AgH7
Alexandria ALEXAlex-ID: agm006200518 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_796_spg12
U4H15 Ag UH3
2023-10-15 19:10:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200518).
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 agm006200518
data_agm006200518
_cell_length_a 5.11254
_cell_length_b 5.11244
_cell_length_c 6.66934
_cell_angle_alpha 112.38227
_cell_angle_beta 67.55853
_cell_angle_gamma 120.00651
_cell_volume 135.54124
_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 0.11007 0.79689 0.16453 1.00000
H2 H 0.83619 0.91457 0.82910 1.00000
H3 H 0.41474 0.49314 0.82909 1.00000
H4 H 0.11017 0.21856 0.16462 1.00000
H5 H 0.47312 0.85536 0.49685 1.00000
H6 H 0.53185 0.21870 0.16457 1.00000
H7 H 0.83636 0.49301 0.82905 1.00000
U1 U 0.35408 0.97534 0.85414 1.00000
U2 U 0.59247 0.73617 0.13958 1.00000
Ag1 Ag 0.97335 0.35565 0.99665 1.00000
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