UGaCl6
Alexandria ALEXAlex-ID: agm003767006 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_230_spg12
GaCl2 UCl4
2022-04-20 00:24:46.158526
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003767006).
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 agm003767006
data_agm003767006
_cell_length_a 6.96555
_cell_length_b 7.04936
_cell_length_c 7.00235
_cell_angle_alpha 59.77764
_cell_angle_beta 82.37327
_cell_angle_gamma 74.71222
_cell_volume 286.58602
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.77569 0.35430 0.71049 1.00000
Cl2 Cl 0.77569 0.06479 0.28951 1.00000
Cl3 Cl 0.22431 0.93521 0.71049 1.00000
Cl4 Cl 0.22431 0.64570 0.28951 1.00000
Cl5 Cl 0.78293 0.76281 0.00000 1.00000
Cl6 Cl 0.21707 0.23719 1.00000 1.00000
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