Li4HoI8
Alexandria ALEXAlex-ID: agm097465355 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1984_spg6
HoI3 I LiI
2025-06-16 10:54:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097465355).
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 agm097465355
data_agm097465355
_cell_length_a 4.62644
_cell_length_b 11.72642
_cell_length_c 11.59265
_cell_angle_alpha 59.99019
_cell_angle_beta 89.46937
_cell_angle_gamma 89.44699
_cell_volume 544.57388
_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
Li1 Li 0.72587 0.11238 0.71223 1.00000
Li2 Li 0.72708 0.60905 0.96632 1.00000
Li3 Li 0.22722 0.30555 0.31053 1.00000
Li4 Li 0.23107 0.87011 0.58621 1.00000
Ho1 Ho 0.73486 0.98933 0.13182 1.00000
I1 I 0.23181 0.15167 0.16397 1.00000
I2 I 0.23712 0.78448 0.23766 1.00000
I3 I 0.22979 0.63943 0.82388 1.00000
I4 I 0.22899 0.11291 0.57956 1.00000
I5 I 0.73436 0.87767 0.44434 1.00000
I6 I 0.72552 0.44246 0.23450 1.00000
I7 I 0.73690 0.23629 0.86139 1.00000
I8 I 0.72942 0.86869 0.94759 1.00000
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