Y4TlTc
Alexandria ALEXAlex-ID: agm005804067 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_180_spg2
Y4TlTc
2023-07-31 15:31:58.254836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804067).
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 agm005804067
data_agm005804067
_cell_length_a 6.28168
_cell_length_b 7.80048
_cell_length_c 7.80049
_cell_angle_alpha 111.86129
_cell_angle_beta 99.34812
_cell_angle_gamma 99.34810
_cell_volume 339.49904
_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
Y1 Y 0.89567 0.64148 0.79943 1.00000
Y2 Y 0.04625 0.93772 0.27427 1.00000
Y3 Y 0.60433 0.20057 0.35852 1.00000
Y4 Y 0.45375 0.72573 0.06228 1.00000
Y5 Y 0.54625 0.27427 0.93772 1.00000
Y6 Y 0.39567 0.79943 0.64148 1.00000
Y7 Y 0.95375 0.06228 0.72573 1.00000
Y8 Y 0.10433 0.35852 0.20057 1.00000
Tl1 Tl 0.75000 0.62537 0.37463 1.00000
Tl2 Tl 0.25000 0.37463 0.62537 1.00000
Tc1 Tc 0.25000 0.99958 0.00042 1.00000
Tc2 Tc 0.75000 0.00042 0.99958 1.00000
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