U2ZnH7
Alexandria ALEXAlex-ID: agm006202075 · 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_484_spg166
U4H15 Zn UH3
2024-02-07 07:15:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006202075).
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
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# CIF generated by HEAS from Alexandria entry agm006202075
data_agm006202075
_cell_length_a 4.96410
_cell_length_b 4.96401
_cell_length_c 6.63032
_cell_angle_alpha 111.78257
_cell_angle_beta 68.14589
_cell_angle_gamma 120.00704
_cell_volume 127.79324
_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 0.10098 0.77449 0.16092 1.00000
H2 H 0.84558 0.93710 0.83269 1.00000
H3 H 0.39233 0.48387 0.83267 1.00000
H4 H 0.10089 0.22775 0.16103 1.00000
H5 H 0.47321 0.85532 0.49682 1.00000
H6 H 0.55412 0.22767 0.16097 1.00000
H7 H 0.84563 0.48383 0.83261 1.00000
U1 U 0.35449 0.97499 0.85262 1.00000
U2 U 0.59200 0.73658 0.14094 1.00000
Zn1 Zn 0.97318 0.35580 0.99689 1.00000
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