Ce2DyAs3
Alexandria ALEXAlex-ID: agm033859693 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
CeDy2As3 CeAs
2024-12-04 19:18:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033859693).
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 agm033859693
data_agm033859693
_cell_length_a 13.88631
_cell_length_b 13.23981
_cell_length_c 7.24636
_cell_angle_alpha 79.49839
_cell_angle_beta 69.63144
_cell_angle_gamma 30.87016
_cell_volume 621.75805
_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
Ce1 Ce 0.99962 0.99962 0.50038 1.00000
Ce2 Ce 0.41698 0.41698 0.58302 1.00000
Ce3 Ce 0.83302 0.83302 0.66698 1.00000
Ce4 Ce 0.25038 0.25038 0.74962 1.00000
Ce5 Ce 0.74962 0.74962 0.25038 1.00000
Ce6 Ce 0.66698 0.66698 0.83302 1.00000
Ce7 Ce 0.58302 0.58302 0.41698 1.00000
Ce8 Ce 0.50038 0.50038 0.99962 1.00000
Dy1 Dy 0.91657 0.91657 0.08343 1.00000
Dy2 Dy 0.33343 0.33343 0.16657 1.00000
Dy3 Dy 0.16657 0.16657 0.33343 1.00000
Dy4 Dy 0.08343 0.08343 0.91657 1.00000
As1 As 0.66574 0.16655 0.83723 1.00000
As2 As 0.16655 0.66574 0.33047 1.00000
As3 As 0.58426 0.08345 0.41277 1.00000
As4 As 0.08345 0.58426 0.91953 1.00000
As5 As 0.49617 0.00383 0.00383 1.00000
As6 As 0.00383 0.49617 0.49617 1.00000
As7 As 0.91953 0.41277 0.08345 1.00000
As8 As 0.41277 0.91953 0.58426 1.00000
As9 As 0.33047 0.83723 0.16655 1.00000
As10 As 0.83723 0.33047 0.66574 1.00000
As11 As 0.75383 0.24617 0.24617 1.00000
As12 As 0.24617 0.75383 0.75383 1.00000
