Tl(GaSn2)4
Alexandria ALEXAlex-ID: agm097979642 · 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
AB4C8_1504_spg8
Sn Ga Tl17Sn12
2025-06-21 17:13:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097979642).
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 agm097979642
data_agm097979642
_cell_length_a 4.50278
_cell_length_b 9.58118
_cell_length_c 10.06464
_cell_angle_alpha 124.64701
_cell_angle_beta 84.31610
_cell_angle_gamma 95.73818
_cell_volume 354.94748
_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
Tl1 Tl 0.40973 0.21019 0.13133 1.00000
Ga1 Ga 0.08105 0.86958 0.83186 1.00000
Ga2 Ga 0.86987 0.93279 0.55504 1.00000
Ga3 Ga 0.91352 0.35001 0.90390 1.00000
Ga4 Ga 0.10173 0.45595 0.46495 1.00000
Sn1 Sn 0.16630 0.13023 0.42466 1.00000
Sn2 Sn 0.36483 0.11119 0.77042 1.00000
Sn3 Sn 0.42643 0.77350 0.29996 1.00000
Sn4 Sn 0.25409 0.65285 0.94640 1.00000
Sn5 Sn 0.88919 0.53610 0.25283 1.00000
Sn6 Sn 0.65241 0.36785 0.66142 1.00000
Sn7 Sn 0.77621 0.93031 0.12224 1.00000
Sn8 Sn 0.59464 0.67946 0.63500 1.00000
获取直接链接