SrTl2B
Alexandria ALEXAlex-ID: agm002024935 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_3586_spg1
SrTl5 SrTl2 SrB6
2021-09-28 12:37:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002024935).
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 agm002024935
data_agm002024935
_cell_length_a 5.61263
_cell_length_b 6.00817
_cell_length_c 6.86460
_cell_angle_alpha 89.49297
_cell_angle_beta 87.95293
_cell_angle_gamma 65.40234
_cell_volume 210.34012
_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 0.00879 0.68386 0.65438 1.00000
Sr2 Sr 0.77131 0.18570 0.13354 1.00000
Tl1 Tl 0.66549 0.33446 0.63253 1.00000
Tl2 Tl 0.30848 0.07515 0.79173 1.00000
Tl3 Tl 0.41830 0.85857 0.32116 1.00000
Tl4 Tl 0.13594 0.54383 0.13301 1.00000
B1 B 0.70217 0.70908 0.00863 1.00000
B2 B 0.47951 0.64687 0.91711 1.00000
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