InSe3
Alexandria ALEXAlex-ID: agm002018271 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_906_spg1
In2Se3 Se
2021-11-13 05:47:28.601161
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018271).
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 agm002018271
data_agm002018271
_cell_length_a 4.16834
_cell_length_b 7.29429
_cell_length_c 9.16937
_cell_angle_alpha 69.75152
_cell_angle_beta 78.41240
_cell_angle_gamma 77.77645
_cell_volume 253.14912
_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
In1 In 0.89860 0.18967 0.49336 1.00000
In2 In 0.46403 0.46448 0.10989 1.00000
Se1 Se 0.51815 0.49545 0.81451 1.00000
Se2 Se 0.49531 0.11478 0.32762 1.00000
Se3 Se 0.28460 0.21434 0.82528 1.00000
Se4 Se 0.79411 0.56862 0.45150 1.00000
Se5 Se 0.75612 0.97120 0.78421 1.00000
Se6 Se 0.85914 0.67268 0.16957 1.00000
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