K2UGaH8
Alexandria ALEXAlex-ID: agm007429211 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1820_spg2
KH KGaH4 UH3
2024-02-09 14:03:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007429211).
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 agm007429211
data_agm007429211
_cell_length_a 3.80178
_cell_length_b 6.04061
_cell_length_c 7.37574
_cell_angle_alpha 106.91803
_cell_angle_beta 90.19942
_cell_angle_gamma 108.24138
_cell_volume 153.07416
_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
K1 K 0.63183 0.29878 0.40923 1.00000
K2 K 0.41048 0.87166 0.62928 1.00000
U1 U 0.18312 0.40922 0.98788 1.00000
Ga1 Ga 0.89856 0.84384 0.01538 1.00000
H1 H 0.38136 0.80366 0.00799 1.00000
H2 H 0.09699 0.23235 0.65755 1.00000
H3 H 0.97065 0.99280 0.84931 1.00000
H4 H 0.58854 0.21857 0.98794 1.00000
H5 H 0.79109 0.62639 0.14712 1.00000
H6 H 0.04898 0.12896 0.17317 1.00000
H7 H 0.25440 0.55037 0.30451 1.00000
H8 H 0.74399 0.52338 0.83065 1.00000
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