Dy3Tm2UAs6
Alexandria ALEXAlex-ID: agm044542979 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
DyTmAs2 DyUAs2
2025-01-20 11:18:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044542979).
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 agm044542979
data_agm044542979
_cell_length_a 7.08265
_cell_length_b 7.08265
_cell_length_c 7.08611
_cell_angle_alpha 80.40648
_cell_angle_beta 99.59352
_cell_angle_gamma 59.98058
_cell_volume 290.17185
_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
Dy1 Dy 0.16747 0.16747 0.50000 1.00000
Dy2 Dy 0.83253 0.83253 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.33342 0.33342 0.00000 1.00000
Tm2 Tm 0.66658 0.66658 0.00000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
As1 As 0.41283 0.91809 0.24580 1.00000
As2 As 0.24904 0.75096 0.75562 1.00000
As3 As 0.58717 0.08191 0.75420 1.00000
As4 As 0.08191 0.58717 0.24580 1.00000
As5 As 0.75096 0.24904 0.24438 1.00000
As6 As 0.91809 0.41283 0.75420 1.00000
获取直接链接