YI4
Alexandria ALEXAlex-ID: agm010177693 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_624_spg12
YI3 I
2024-03-08 21:16:00.809957
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010177693).
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 agm010177693
data_agm010177693
_cell_length_a 8.69346
_cell_length_b 7.85801
_cell_length_c 8.70429
_cell_angle_alpha 96.99452
_cell_angle_beta 83.07835
_cell_angle_gamma 124.66714
_cell_volume 484.45967
_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 0.64783 0.85123 0.05197 1.00000
Y2 Y 0.35217 0.14877 0.94803 1.00000
I1 I 0.56649 0.48448 0.21286 1.00000
I2 I 0.03062 0.13614 0.19986 1.00000
I3 I 0.32902 0.94801 0.58194 1.00000
I4 I 0.96938 0.86386 0.80014 1.00000
I5 I 0.67098 0.05199 0.41806 1.00000
I6 I 0.43351 0.51552 0.78714 1.00000
I7 I 0.73885 0.21689 0.88265 1.00000
I8 I 0.26115 0.78311 0.11735 1.00000
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