DyPuIrI
Alexandria ALEXAlex-ID: agm005200909 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_347_spg1
Pu5Ir3 Dy4Ir3 DyI3 Dy3IrI3
2022-07-10 13:02:11.196137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200909).
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 agm005200909
data_agm005200909
_cell_length_a 4.07596
_cell_length_b 4.07632
_cell_length_c 8.33089
_cell_angle_alpha 90.00436
_cell_angle_beta 104.16779
_cell_angle_gamma 119.99812
_cell_volume 114.98637
_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 0.51090 0.15332 0.67996 1.00000
Pu1 Pu 0.08988 0.94292 0.04799 1.00000
Ir1 Ir 0.30441 0.55013 0.87005 1.00000
I1 I 0.97271 0.38443 0.37166 1.00000
获取直接链接