Zn2InH8
Alexandria ALEXAlex-ID: agm006556497 · 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
AB2C8_1675_spg2
InH10 InH2 ZnH2
2023-12-25 14:42:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006556497).
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 agm006556497
data_agm006556497
_cell_length_a 2.81805
_cell_length_b 5.72252
_cell_length_c 8.34560
_cell_angle_alpha 73.92510
_cell_angle_beta 90.34824
_cell_angle_gamma 105.11838
_cell_volume 124.52826
_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 0.82057 0.63693 0.58009 1.00000
H2 H 0.31580 0.62580 0.85657 1.00000
H3 H 0.76167 0.51789 0.12697 1.00000
H4 H 0.53906 0.08526 0.72588 1.00000
H5 H 0.23832 0.48211 0.87303 1.00000
H6 H 0.68420 0.37420 0.14343 1.00000
H7 H 0.17943 0.36307 0.41991 1.00000
H8 H 0.46094 0.91474 0.27412 1.00000
Zn1 Zn 0.38777 0.76634 0.46942 1.00000
Zn2 Zn 0.61223 0.23366 0.53058 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
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