La3In2
Alexandria ALEXAlex-ID: agm005507828 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
LaIn La5In3
2023-03-20 07:41:00.708460
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507828).
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 agm005507828
data_agm005507828
_cell_length_a 10.16252
_cell_length_b 8.93998
_cell_length_c 6.69650
_cell_angle_alpha 79.66064
_cell_angle_beta 59.93028
_cell_angle_gamma 40.40908
_cell_volume 318.40534
_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
La1 La 0.72915 0.46776 0.37384 1.00000
La2 La 0.42925 0.37384 0.46776 1.00000
La3 La 0.78224 0.52085 0.82075 1.00000
La4 La 0.87616 0.82075 0.52085 1.00000
La5 La 0.08151 0.91849 0.91849 1.00000
La6 La 0.33151 0.16849 0.16849 1.00000
In1 In 0.20224 0.89071 0.34921 1.00000
In2 In 0.55784 0.34921 0.89071 1.00000
In3 In 0.35929 0.04776 0.69216 1.00000
In4 In 0.90079 0.69216 0.04776 1.00000
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