Tl2InPb6
Alexandria ALEXAlex-ID: agm003481997 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1_spg189
Tl2Pb7 In TlPb
2022-02-27 19:03:13.846458
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003481997).
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 agm003481997
data_agm003481997
_cell_length_a 4.17405
_cell_length_b 8.87399
_cell_length_c 8.87399
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.65989
_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 0.50000 0.33333 0.66667 1.00000
Tl2 Tl 0.50000 0.66667 0.33333 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.00000 0.73422 1.00000
Pb2 Pb 0.50000 0.73422 0.00000 1.00000
Pb3 Pb 0.50000 0.26578 0.26578 1.00000
Pb4 Pb 0.00000 0.62504 0.62504 1.00000
Pb5 Pb 0.00000 0.37496 0.00000 1.00000
Pb6 Pb 0.00000 0.00000 0.37496 1.00000
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