UMo2H7
Alexandria ALEXAlex-ID: agm006205487 · 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_780_spg2
Mo2H3 U4H15 H2
2024-02-07 03:48:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205487).
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 agm006205487
data_agm006205487
_cell_length_a 3.18509
_cell_length_b 3.21870
_cell_length_c 7.79674
_cell_angle_alpha 98.43504
_cell_angle_beta 80.23698
_cell_angle_gamma 93.60286
_cell_volume 77.86223
_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 0.90269 0.93827 0.18765 1.00000
H2 H 0.98902 0.80089 0.79581 1.00000
H3 H 0.55816 0.21934 0.78541 1.00000
H4 H 0.79254 0.98881 0.46536 1.00000
H5 H 0.32186 0.52668 0.45890 1.00000
H6 H 0.39243 0.43124 0.18893 1.00000
H7 H 0.17597 0.29120 0.68439 1.00000
Mo1 Mo 0.77684 0.52302 0.59853 1.00000
Mo2 Mo 0.34849 0.97294 0.32779 1.00000
U1 U 0.97439 0.36501 0.97540 1.00000
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