Li2Al6Tc
Alexandria ALEXAlex-ID: agm005675760 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1610_spg12
Al4Tc LiAl
2023-07-08 11:16:48.567239
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675760).
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 agm005675760
data_agm005675760
_cell_length_a 4.54468
_cell_length_b 6.78785
_cell_length_c 5.04446
_cell_angle_alpha 101.21075
_cell_angle_beta 116.77331
_cell_angle_gamma 90.00260
_cell_volume 135.59729
_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
Li1 Li 0.94354 0.16313 0.88708 1.00000
Li2 Li 0.05646 0.83687 0.11292 1.00000
Al1 Al 0.39549 0.82030 0.79098 1.00000
Al2 Al 0.60451 0.17970 0.20902 1.00000
Al3 Al 0.71041 0.83537 0.42082 1.00000
Al4 Al 0.15612 0.49227 0.31224 1.00000
Al5 Al 0.28959 0.16463 0.57918 1.00000
Al6 Al 0.84388 0.50773 0.68776 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
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