Sr4Tl12Cr
Alexandria ALEXAlex-ID: agm099472158 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_333_spg123
SrTl5 SrTl2 Cr
2025-04-14 17:09:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099472158).
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 agm099472158
data_agm099472158
_cell_length_a 9.98018
_cell_length_b 9.98018
_cell_length_c 5.20180
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 518.12014
_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 0.75415 0.75415 0.00000 1.00000
Sr2 Sr 0.24585 0.75415 0.00000 1.00000
Sr3 Sr 0.75415 0.24585 0.00000 1.00000
Sr4 Sr 0.24585 0.24585 0.00000 1.00000
Tl1 Tl 0.00000 0.71325 0.50000 1.00000
Tl2 Tl 0.50000 0.74179 0.50000 1.00000
Tl3 Tl 0.00000 0.28675 0.50000 1.00000
Tl4 Tl 0.50000 0.25821 0.50000 1.00000
Tl5 Tl 0.71325 0.00000 0.50000 1.00000
Tl6 Tl 0.28675 0.00000 0.50000 1.00000
Tl7 Tl 0.74179 0.50000 0.50000 1.00000
Tl8 Tl 0.25821 0.50000 0.50000 1.00000
Tl9 Tl 0.00000 0.00000 0.00000 1.00000
Tl10 Tl 0.50000 0.00000 0.00000 1.00000
Tl11 Tl 0.00000 0.50000 0.00000 1.00000
Tl12 Tl 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
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