Ac6YTm
Alexandria ALEXAlex-ID: agm005759223 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_255_spg139
Y5Tm YTm2 Ac
2023-07-25 09:21:11.391028
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759223).
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 agm005759223
data_agm005759223
_cell_length_a 5.58412
_cell_length_b 11.37655
_cell_length_c 11.37552
_cell_angle_alpha 28.42103
_cell_angle_beta 75.79187
_cell_angle_gamma 75.79326
_cell_volume 332.74366
_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
Ac1 Ac 0.25037 0.74963 0.74963 1.00000
Ac2 Ac 0.38367 0.11637 0.11630 1.00000
Ac3 Ac 0.88367 0.61637 0.61629 1.00000
Ac4 Ac 0.61633 0.88363 0.88370 1.00000
Ac5 Ac 0.74963 0.25037 0.25037 1.00000
Ac6 Ac 0.11633 0.38363 0.38371 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
获取直接链接