Dy(AlI4)2
Alexandria ALEXAlex-ID: agm003523916 · 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
AB2C8_38_spg12
AlI3 Al DyI3
2022-03-13 15:46:27.171180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523916).
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 agm003523916
data_agm003523916
_cell_length_a 7.22191
_cell_length_b 9.03012
_cell_length_c 9.03012
_cell_angle_alpha 77.44360
_cell_angle_beta 83.33599
_cell_angle_gamma 83.33599
_cell_volume 568.41793
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.65193 0.80532 0.80532 1.00000
Al2 Al 0.34807 0.19468 0.19468 1.00000
I1 I 0.22998 0.27400 0.91762 1.00000
I2 I 0.77002 0.08238 0.72600 1.00000
I3 I 0.27820 0.81126 0.81126 1.00000
I4 I 0.72180 0.18874 0.18874 1.00000
I5 I 0.22998 0.91762 0.27400 1.00000
I6 I 0.77002 0.72600 0.08238 1.00000
I7 I 0.79748 0.63027 0.63027 1.00000
I8 I 0.20252 0.36973 0.36973 1.00000
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