TlTc5
Alexandria ALEXAlex-ID: agm005461633 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_238_spg8
Tc Tl
2023-03-22 00:36:38.067544
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461633).
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 agm005461633
data_agm005461633
_cell_length_a 5.33129
_cell_length_b 5.33129
_cell_length_c 6.59812
_cell_angle_alpha 75.63861
_cell_angle_beta 75.63861
_cell_angle_gamma 31.33530
_cell_volume 94.23570
_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 0.28485 0.28485 0.93437 1.00000
Tc1 Tc 0.00351 0.00351 0.01899 1.00000
Tc2 Tc 0.33292 0.33292 0.34708 1.00000
Tc3 Tc 0.65175 0.65175 0.66350 1.00000
Tc4 Tc 0.60761 0.60761 0.28233 1.00000
Tc5 Tc 0.95270 0.95270 0.58706 1.00000
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