LiEr(ScIn2)2
Alexandria ALEXAlex-ID: agm004804792 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
LiScIn2 LiEr4In5 ScIn
2022-07-17 00:49:31.591976
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004804792).
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 agm004804792
data_agm004804792
_cell_length_a 5.03549
_cell_length_b 5.03549
_cell_length_c 8.86332
_cell_angle_alpha 73.49712
_cell_angle_beta 73.49712
_cell_angle_gamma 60.00000
_cell_volume 183.86269
_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 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.75193 0.75193 0.74422 1.00000
Sc2 Sc 0.24807 0.24807 0.25578 1.00000
In1 In 0.37937 0.37937 0.86189 1.00000
In2 In 0.87195 0.87195 0.38415 1.00000
In3 In 0.12805 0.12805 0.61585 1.00000
In4 In 0.62063 0.62063 0.13811 1.00000
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