Ac3TbY6
Alexandria ALEXAlex-ID: agm006013733 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_299_spg146
TbY15 Tb2Y7 Ac
2023-09-23 11:07:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006013733).
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 agm006013733
data_agm006013733
_cell_length_a 10.10536
_cell_length_b 10.10536
_cell_length_c 7.20086
_cell_angle_alpha 45.43830
_cell_angle_beta 45.43829
_cell_angle_gamma 60.00000
_cell_volume 373.25201
_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 0.34993 0.34993 0.95021 1.00000
Ac2 Ac 0.60759 0.60759 0.17724 1.00000
Ac3 Ac 0.09248 0.09248 0.72255 1.00000
Tb1 Tb 0.84999 0.84999 0.45004 1.00000
Y1 Y 0.92810 0.60106 0.22013 1.00000
Y2 Y 0.25072 0.92810 0.22013 1.00000
Y3 Y 0.60106 0.25072 0.22013 1.00000
Y4 Y 0.09904 0.44925 0.67986 1.00000
Y5 Y 0.77185 0.09904 0.67986 1.00000
Y6 Y 0.44925 0.77185 0.67986 1.00000
