InH2
Alexandria ALEXAlex-ID: agm082385992 · 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
AB2_9605_spg1
InH2
2025-05-28 00:46:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082385992).
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 agm082385992
data_agm082385992
_cell_length_a 4.77984
_cell_length_b 4.78831
_cell_length_c 6.92903
_cell_angle_alpha 91.17365
_cell_angle_beta 67.60518
_cell_angle_gamma 111.11398
_cell_volume 135.52387
_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 0.29254 0.47401 0.93104 1.00000
In2 In 0.63977 0.01395 0.06562 1.00000
In3 In 0.17809 0.88368 0.67677 1.00000
H1 H 0.55335 0.23071 0.85211 1.00000
H2 H 0.38774 0.00996 0.35619 1.00000
H3 H 0.94162 0.26954 0.50222 1.00000
H4 H 0.68887 0.65065 0.42417 1.00000
H5 H 0.01066 0.29871 0.38200 1.00000
H6 H 0.80735 0.66878 0.30988 1.00000
获取直接链接