Ac2YThSe4
Alexandria ALEXAlex-ID: agm004816004 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Y4ThSe5 YTh4Se5 AcSe
2022-07-20 18:54:54.044847
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004816004).
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 agm004816004
data_agm004816004
_cell_length_a 4.24809
_cell_length_b 7.43531
_cell_length_c 7.54096
_cell_angle_alpha 108.79472
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.48748
_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 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.50000 0.23604 0.22532 1.00000
Se2 Se 0.50000 0.76396 0.77468 1.00000
Se3 Se 0.00000 0.25017 0.77033 1.00000
Se4 Se 0.00000 0.74983 0.22967 1.00000
获取直接链接