Y6AlIn5
Alexandria ALEXAlex-ID: agm006080331 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_95_spg12
Y5In4 YAl2 YIn
2023-08-17 22:43:02.696862
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006080331).
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 agm006080331
data_agm006080331
_cell_length_a 5.29403
_cell_length_b 7.46820
_cell_length_c 8.37248
_cell_angle_alpha 90.00078
_cell_angle_beta 71.56932
_cell_angle_gamma 90.00247
_cell_volume 314.04271
_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 0.83604 0.75244 0.32797 1.00000
Y2 Y 0.83599 0.24756 0.32797 1.00000
Y3 Y 0.50003 0.24479 0.00000 1.00000
Y4 Y 0.49997 0.75521 0.00000 1.00000
Y5 Y 0.16401 0.75244 0.67203 1.00000
Y6 Y 0.16396 0.24756 0.67203 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
In1 In 0.66776 0.50000 0.66448 1.00000
In2 In 0.33205 1.00000 0.33589 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66795 0.00000 0.66411 1.00000
In5 In 0.33224 0.50000 0.33552 1.00000
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