Y6Al2Tl
Alexandria ALEXAlex-ID: agm005697709 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Y5Al2Tl Y
2023-07-06 10:26:11.619304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697709).
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 agm005697709
data_agm005697709
_cell_length_a 8.74887
_cell_length_b 8.74887
_cell_length_c 8.74887
_cell_angle_alpha 104.52806
_cell_angle_beta 112.45342
_cell_angle_gamma 111.54388
_cell_volume 512.62584
_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 0.54048 0.72452 0.81597 1.00000
Y2 Y 0.45952 0.27548 0.18403 1.00000
Y3 Y 0.09145 0.27548 0.81597 1.00000
Y4 Y 0.90855 0.72452 0.18403 1.00000
Y5 Y 0.79809 0.75686 0.55496 1.00000
Y6 Y 0.20191 0.24314 0.44504 1.00000
Y7 Y 0.20191 0.75686 0.95877 1.00000
Y8 Y 0.79809 0.24314 0.04123 1.00000
Y9 Y 0.70587 0.38493 0.67905 1.00000
Y10 Y 0.29413 0.61507 0.32095 1.00000
Y11 Y 0.29413 0.97318 0.67906 1.00000
Y12 Y 0.70587 0.02682 0.32094 1.00000
Al1 Al 0.50000 0.37893 0.87893 1.00000
Al2 Al 0.50000 0.62107 0.12107 1.00000
Al3 Al 0.64261 0.00000 0.64261 1.00000
Al4 Al 0.35739 0.00000 0.35739 1.00000
Tl1 Tl 0.00000 0.50000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
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