Li2HoI4
Alexandria ALEXAlex-ID: agm003459673 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_906_spg74
HoI3 Ho LiI
2022-02-17 22:12:10.208896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459673).
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 agm003459673
data_agm003459673
_cell_length_a 8.58176
_cell_length_b 8.58028
_cell_length_c 8.58219
_cell_angle_alpha 123.38083
_cell_angle_beta 107.57724
_cell_angle_gamma 98.50502
_cell_volume 462.24966
_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 0.62493 0.37493 0.75001 1.00000
Li2 Li 0.62493 0.87495 0.24998 1.00000
Li3 Li 0.62520 0.37475 0.24991 1.00000
Li4 Li 0.12491 0.37530 0.75018 1.00000
Ho1 Ho 0.12819 0.62769 0.49949 1.00000
Ho2 Ho 0.12182 0.12233 0.00050 1.00000
I1 I 0.91540 0.16940 0.25401 1.00000
I2 I 0.33452 0.58064 0.24586 1.00000
I3 I 0.91577 0.66162 0.74590 1.00000
I4 I 0.82784 0.12844 0.69947 1.00000
I5 I 0.42898 0.12849 0.30061 1.00000
I6 I 0.33437 0.08842 0.75418 1.00000
I7 I 0.42214 0.62152 0.80048 1.00000
I8 I 0.82100 0.62153 0.19941 1.00000
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