Ga2H7Rh
Alexandria ALEXAlex-ID: agm006201034 · 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
AB2C7_585_spg8
GaH9 Ga17Rh10 H2
2023-11-18 12:16:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201034).
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 agm006201034
data_agm006201034
_cell_length_a 5.10206
_cell_length_b 5.10305
_cell_length_c 6.20908
_cell_angle_alpha 115.23695
_cell_angle_beta 64.73891
_cell_angle_gamma 128.32233
_cell_volume 111.67931
_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 0.10502 0.66583 0.24343 1.00000
H2 H 0.84109 0.04656 0.75040 1.00000
H3 H 0.28415 0.48849 0.75070 1.00000
H4 H 0.19514 0.13401 0.91923 1.00000
H5 H 0.47296 0.85523 0.49672 1.00000
H6 H 0.66318 0.22279 0.24304 1.00000
H7 H 0.75161 0.57763 0.07428 1.00000
Rh1 Rh 0.97352 0.35613 0.99688 1.00000
Ga1 Ga 0.40149 0.92729 0.81025 1.00000
Ga2 Ga 0.54423 0.78342 0.18322 1.00000
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