Sr3TlIn
Alexandria ALEXAlex-ID: agm005802334 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2139_spg12
Sr6Tl5In Sr28In11 SrIn
2023-07-05 20:56:51.313282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802334).
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 agm005802334
data_agm005802334
_cell_length_a 5.81715
_cell_length_b 5.81584
_cell_length_c 11.65492
_cell_angle_alpha 90.00000
_cell_angle_beta 75.54865
_cell_angle_gamma 90.00000
_cell_volume 381.82873
_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
Sr1 Sr 0.75135 0.25000 0.14566 1.00000
Sr2 Sr 0.39654 0.25000 0.85526 1.00000
Sr3 Sr 0.57404 0.25000 0.50027 1.00000
Sr4 Sr 0.25180 0.75000 0.14474 1.00000
Sr5 Sr 0.89700 0.75000 0.85434 1.00000
Sr6 Sr 0.07431 0.75000 0.49973 1.00000
Tl1 Tl 0.66761 0.75000 0.31313 1.00000
Tl2 Tl 0.98074 0.25000 0.68687 1.00000
In1 In 0.48150 0.75000 0.68535 1.00000
In2 In 0.16685 0.25000 0.31465 1.00000
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