InS11
Alexandria ALEXAlex-ID: agm062546972 · 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
AB11_76_spg1
InS12 In2S3
2024-09-22 04:37:36.672396
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062546972).
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 agm062546972
data_agm062546972
_cell_length_a 5.68951
_cell_length_b 10.81182
_cell_length_c 11.30801
_cell_angle_alpha 132.32357
_cell_angle_beta 77.27496
_cell_angle_gamma 75.28153
_cell_volume 416.32094
_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 0.88919 0.25405 0.06380 1.00000
S1 S 0.51874 0.52563 0.53860 1.00000
S2 S 0.10193 0.02778 0.47231 1.00000
S3 S 0.35261 0.37733 0.94067 1.00000
S4 S 0.91010 0.96144 0.96399 1.00000
S5 S 0.58407 0.10784 0.39917 1.00000
S6 S 0.53054 0.87201 0.31718 1.00000
S7 S 0.00707 0.98268 0.27282 1.00000
S8 S 0.39592 0.48694 0.15908 1.00000
S9 S 0.32459 0.13500 0.80703 1.00000
S10 S 0.09285 0.73859 0.67442 1.00000
S11 S 0.79241 0.53071 0.39093 1.00000
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