Y(InH3)2
Alexandria ALEXAlex-ID: agm097625698 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_679_spg12
InH2 YH3 In
2025-04-29 18:02:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097625698).
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 agm097625698
data_agm097625698
_cell_length_a 3.78913
_cell_length_b 3.79056
_cell_length_c 8.10584
_cell_angle_alpha 89.88077
_cell_angle_beta 89.90038
_cell_angle_gamma 60.12708
_cell_volume 100.95437
_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
Y1 Y 0.38872 0.72232 0.25000 1.00000
In1 In 0.72241 0.05922 0.92394 1.00000
In2 In 0.05257 0.38673 0.57605 1.00000
H1 H 0.38947 0.72340 0.97597 1.00000
H2 H 0.38822 0.72110 0.52403 1.00000
H3 H 0.05541 0.38875 0.17540 1.00000
H4 H 0.05743 0.38847 0.82071 1.00000
H5 H 0.72220 0.05581 0.32461 1.00000
H6 H 0.72356 0.05421 0.67928 1.00000
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