InH
Alexandria ALEXAlex-ID: agm071102255 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_12663_spg14
InH2 In
2025-05-28 05:27:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071102255).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm071102255
data_agm071102255
_cell_length_a 3.13629
_cell_length_b 8.28153
_cell_length_c 16.44083
_cell_angle_alpha 89.96008
_cell_angle_beta 90.01951
_cell_angle_gamma 77.23303
_cell_volume 416.46469
_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
In1 In 0.48217 0.50728 0.02032 1.00000
In2 In 0.02154 0.49378 0.47966 1.00000
In3 In 0.97992 0.00610 0.97979 1.00000
In4 In 0.51645 0.99299 0.52017 1.00000
In5 In 0.71213 0.85325 0.31901 1.00000
In6 In 0.28484 0.64714 0.81897 1.00000
In7 In 0.79627 0.14800 0.18097 1.00000
In8 In 0.20619 0.35141 0.68110 1.00000
In9 In 0.95221 0.18945 0.37350 1.00000
In10 In 0.45318 0.68757 0.62652 1.00000
In11 In 0.04519 0.31100 0.87369 1.00000
In12 In 0.54855 0.81191 0.12669 1.00000
H1 H 0.55784 0.93280 0.79350 1.00000
H2 H 0.00883 0.97832 0.68947 1.00000
H3 H 0.99207 0.52055 0.18942 1.00000
H4 H 0.44184 0.56793 0.29304 1.00000
H5 H 0.93605 0.06558 0.70640 1.00000
H6 H 0.06474 0.43368 0.20690 1.00000
H7 H 0.48579 0.02015 0.81035 1.00000
H8 H 0.51403 0.48106 0.31053 1.00000
H9 H 0.11642 0.82057 0.90302 1.00000
H10 H 0.62164 0.32135 0.09711 1.00000
H11 H 0.88369 0.67964 0.40289 1.00000
H12 H 0.37843 0.17852 0.59697 1.00000
