UH6
Alexandria ALEXAlex-ID: agm096132037 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_649_spg11
U4H15 H2
2025-05-28 22:28:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096132037).
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 agm096132037
data_agm096132037
_cell_length_a 4.06382
_cell_length_b 4.06376
_cell_length_c 5.95615
_cell_angle_alpha 90.02024
_cell_angle_beta 89.97969
_cell_angle_gamma 111.38828
_cell_volume 91.58814
_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
U1 U 0.12211 0.45463 0.21488 1.00000
U2 U 0.38320 0.19354 0.71487 1.00000
H1 H 0.58213 0.99459 0.21084 1.00000
H2 H 0.89899 0.21465 0.88160 1.00000
H3 H 0.14323 0.97050 0.38162 1.00000
H4 H 0.89867 0.21479 0.54792 1.00000
H5 H 0.36210 0.67776 0.88160 1.00000
H6 H 0.60675 0.43347 0.04793 1.00000
H7 H 0.36199 0.67809 0.54791 1.00000
H8 H 0.60621 0.43346 0.38161 1.00000
H9 H 0.14326 0.96998 0.04793 1.00000
H10 H 0.92312 0.65364 0.70829 1.00000
H11 H 0.70582 0.87088 0.21597 1.00000
H12 H 0.79957 0.77720 0.71702 1.00000
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