Y2In5I12
Alexandria ALEXAlex-ID: agm005653847 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_109_spg12
InI YI3 InI2
2023-06-26 14:44:03.904742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653847).
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 agm005653847
data_agm005653847
_cell_length_a 8.90254
_cell_length_b 10.49933
_cell_length_c 10.82224
_cell_angle_alpha 108.11577
_cell_angle_beta 89.99999
_cell_angle_gamma 115.08472
_cell_volume 860.46888
_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 0.74473 0.00000 0.00000 1.00000
Y2 Y 0.25527 1.00000 1.00000 1.00000
In1 In 0.27297 0.54593 0.63134 1.00000
In2 In 0.31898 0.63796 0.17863 1.00000
In3 In 0.00000 0.00000 0.50000 1.00000
In4 In 0.68102 0.36204 0.82137 1.00000
In5 In 0.72703 0.45407 0.36866 1.00000
I1 I 0.00470 0.00939 0.19446 1.00000
I2 I 0.09455 0.66662 0.91204 1.00000
I3 I 0.57207 0.66662 0.91204 1.00000
I4 I 0.11546 0.74657 0.43224 1.00000
I5 I 0.63111 0.74657 0.43224 1.00000
I6 I 0.49130 0.98260 0.79418 1.00000
I7 I 0.50870 0.01740 0.20582 1.00000
I8 I 0.88454 0.25343 0.56776 1.00000
I9 I 0.36889 0.25343 0.56776 1.00000
I10 I 0.90545 0.33338 0.08796 1.00000
I11 I 0.42793 0.33338 0.08796 1.00000
I12 I 0.99530 0.99061 0.80554 1.00000
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