InAs2H7
Alexandria ALEXAlex-ID: agm006201878 · 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_1123_spg1
AsH9 AsH InAs
2024-02-07 03:23:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201878).
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 agm006201878
data_agm006201878
_cell_length_a 11.61469
_cell_length_b 16.32702
_cell_length_c 12.45498
_cell_angle_alpha 19.98950
_cell_angle_beta 34.00801
_cell_angle_gamma 16.64628
_cell_volume 158.26212
_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 0.27835 0.68672 0.43543 1.00000
H2 H 0.53452 0.24905 0.14712 1.00000
H3 H 0.77526 0.86088 0.66113 1.00000
H4 H 0.85992 0.69110 0.43873 1.00000
H5 H 0.91300 0.84121 0.76234 1.00000
H6 H 0.95845 0.30124 0.28548 1.00000
H7 H 0.58873 0.39489 0.56177 1.00000
As1 As 0.01298 0.35307 0.06698 1.00000
As2 As 0.35160 0.22474 0.25473 1.00000
In1 In 0.22718 0.89711 0.88629 1.00000
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