Ga2AsH7
Alexandria ALEXAlex-ID: agm006200959 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_854_spg1
GaH9 GaAs GaH6
2024-01-01 20:52:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200959).
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 agm006200959
data_agm006200959
_cell_length_a 8.96748
_cell_length_b 11.85448
_cell_length_c 9.15740
_cell_angle_alpha 158.92860
_cell_angle_beta 28.36238
_cell_angle_gamma 154.62075
_cell_volume 145.65005
_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 0.01717 0.83833 0.62862 1.00000
H2 H 0.65139 0.60754 0.32889 1.00000
H3 H 0.98963 0.31422 0.98377 1.00000
H4 H 0.00162 0.14232 0.27217 1.00000
H5 H 0.45270 0.91919 0.63793 1.00000
H6 H 0.24389 0.06797 0.23471 1.00000
H7 H 0.66019 0.46623 0.83734 1.00000
As1 As 0.25233 0.70589 0.18831 1.00000
Ga1 Ga 0.36984 0.23059 0.16861 1.00000
Ga2 Ga 0.59363 0.76512 0.18782 1.00000
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