Ac4TlIn3
Alexandria ALEXAlex-ID: agm005962276 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
AcTl AcIn
2023-09-26 10:56:50.665223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962276).
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 agm005962276
data_agm005962276
_cell_length_a 5.81190
_cell_length_b 5.81192
_cell_length_c 9.23090
_cell_angle_alpha 108.34604
_cell_angle_beta 108.34913
_cell_angle_gamma 90.00000
_cell_volume 279.20406
_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 0.37404 0.37391 0.74809 1.00000
Ac2 Ac 0.62596 0.62609 0.25191 1.00000
Ac3 Ac 0.12596 0.12602 0.25191 1.00000
Ac4 Ac 0.87404 0.87398 0.74809 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
In2 In 0.75007 0.25008 0.50015 1.00000
In3 In 0.24993 0.74992 0.49985 1.00000
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