RbGa2H7
Alexandria ALEXAlex-ID: agm006200932 · 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_800_spg166
RbGaH6 GaH6 Ga
2024-01-01 04:47:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200932).
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 agm006200932
data_agm006200932
_cell_length_a 7.51716
_cell_length_b 7.51931
_cell_length_c 5.51887
_cell_angle_alpha 132.50865
_cell_angle_beta 47.42161
_cell_angle_gamma 120.00376
_cell_volume 168.80283
_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 0.15463 0.82318 0.10310 1.00000
H2 H 0.79102 0.88947 0.89308 1.00000
H3 H 0.44010 0.53817 0.89259 1.00000
H4 H 0.15640 0.17224 0.09763 1.00000
H5 H 0.47339 0.85473 0.49681 1.00000
H6 H 0.50619 0.17369 0.10143 1.00000
H7 H 0.79094 0.53858 0.89318 1.00000
Ga1 Ga 0.31122 0.01745 0.98406 1.00000
Ga2 Ga 0.63528 0.69400 0.00951 1.00000
Rb1 Rb 0.97321 0.35588 0.99678 1.00000
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