Sr(AcTl)2
Alexandria ALEXAlex-ID: agm003389031 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1874_spg63
Sr5AcTl6 Ac5Tl3 SrAcTl
2022-02-12 01:40:02.855205
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003389031).
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 agm003389031
data_agm003389031
_cell_length_a 5.82451
_cell_length_b 9.01073
_cell_length_c 8.05954
_cell_angle_alpha 89.99401
_cell_angle_beta 89.99288
_cell_angle_gamma 71.47449
_cell_volume 401.07152
_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 0.84527 0.81567 0.24998 1.00000
Sr2 Sr 0.15473 0.18433 0.75002 1.00000
Ac1 Ac 0.50323 0.49372 0.25002 1.00000
Ac2 Ac 0.83631 0.83317 0.74995 1.00000
Ac3 Ac 0.16368 0.16683 0.25005 1.00000
Ac4 Ac 0.49677 0.50628 0.74998 1.00000
Tl1 Tl 0.34100 0.82681 0.00349 1.00000
Tl2 Tl 0.65897 0.17319 0.50354 1.00000
Tl3 Tl 0.65899 0.17319 0.99651 1.00000
Tl4 Tl 0.34102 0.82681 0.49646 1.00000
获取直接链接