In2C3
Alexandria ALEXAlex-ID: agm005505501 · 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_580_spg43
C In
2023-03-19 17:29:37.819503
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505501).
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 agm005505501
data_agm005505501
_cell_length_a 10.98270
_cell_length_b 9.94340
_cell_length_c 5.38949
_cell_angle_alpha 86.09552
_cell_angle_beta 64.59109
_cell_angle_gamma 29.31339
_cell_volume 187.88303
_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 0.67349 0.18794 0.91575 1.00000
In2 In 0.22282 0.91575 0.18794 1.00000
In3 In 0.33425 0.02718 0.57651 1.00000
In4 In 0.06206 0.57651 0.02718 1.00000
C1 C 0.81256 0.65734 0.94090 1.00000
C2 C 0.58919 0.94090 0.65734 1.00000
C3 C 0.30910 0.66081 0.43744 1.00000
C4 C 0.59266 0.43744 0.66081 1.00000
C5 C 0.70193 0.79807 0.79807 1.00000
C6 C 0.45193 0.54807 0.54807 1.00000
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