Ac4In2I3
Alexandria ALEXAlex-ID: agm005694384 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
Ac5In3 AcIn AcI3
2023-06-30 19:49:03.554535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694384).
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 agm005694384
data_agm005694384
_cell_length_a 4.74521
_cell_length_b 4.74521
_cell_length_c 20.16859
_cell_angle_alpha 90.01212
_cell_angle_beta 89.98788
_cell_angle_gamma 120.02072
_cell_volume 393.21208
_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
Ac1 Ac 0.33337 0.66663 0.89130 1.00000
Ac2 Ac 0.99996 0.00004 0.30067 1.00000
Ac3 Ac 0.00004 0.99996 0.69933 1.00000
Ac4 Ac 0.66663 0.33337 0.10870 1.00000
In1 In 0.66671 0.33329 0.79727 1.00000
In2 In 0.33329 0.66671 0.20273 1.00000
I1 I 0.66658 0.33342 0.40238 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33342 0.66658 0.59762 1.00000
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