Ac4Y8F
Alexandria ALEXAlex-ID: agm098064757 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1385_spg5
Ac Y AcF3
2025-06-15 10:28:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098064757).
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 agm098064757
data_agm098064757
_cell_length_a 11.93722
_cell_length_b 3.67345
_cell_length_c 11.93627
_cell_angle_alpha 90.00000
_cell_angle_beta 119.81249
_cell_angle_gamma 90.00000
_cell_volume 454.14505
_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 0.96880 0.00000 0.96895 1.00000
Ac2 Ac 0.49172 0.00000 0.99045 1.00000
Ac3 Ac 0.49157 0.00000 0.49152 1.00000
Ac4 Ac 0.99055 0.00000 0.49185 1.00000
Y1 Y 0.81871 0.50000 0.15257 1.00000
Y2 Y 0.33576 0.50000 0.16048 1.00000
Y3 Y 0.32408 0.50000 0.66280 1.00000
Y4 Y 0.81846 0.50000 0.64984 1.00000
Y5 Y 0.16019 0.50000 0.33548 1.00000
Y6 Y 0.66300 0.50000 0.32421 1.00000
Y7 Y 0.64967 0.50000 0.81834 1.00000
Y8 Y 0.15268 0.50000 0.81888 1.00000
F1 F 0.13481 0.50000 0.13463 1.00000
获取直接链接