ErH8PdRu4
Alexandria ALEXAlex-ID: agm007016901 · 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
ABC4D8_5_spg160
H4Pd ErH5Ru HPd Ru
2024-03-16 06:12:47.818111
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007016901).
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 agm007016901
data_agm007016901
_cell_length_a 5.83820
_cell_length_b 5.83820
_cell_length_c 5.83820
_cell_angle_alpha 57.03984
_cell_angle_beta 57.03984
_cell_angle_gamma 57.03984
_cell_volume 131.10671
_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
Er1 Er 0.64483 0.64483 0.64483 1.00000
H1 H 0.73988 0.18590 0.73988 1.00000
H2 H 0.18590 0.73988 0.73988 1.00000
H3 H 0.73988 0.73988 0.18590 1.00000
H4 H 0.78432 0.78432 0.78432 1.00000
H5 H 0.24045 0.75646 0.24045 1.00000
H6 H 0.75646 0.24045 0.24045 1.00000
H7 H 0.24045 0.24045 0.75646 1.00000
H8 H 0.22930 0.22930 0.22930 1.00000
Pd1 Pd 0.99411 0.99411 0.99411 1.00000
Ru1 Ru 0.46237 0.46237 0.46237 1.00000
Ru2 Ru 0.99979 0.48246 0.99979 1.00000
Ru3 Ru 0.48246 0.99979 0.99979 1.00000
Ru4 Ru 0.99979 0.99979 0.48246 1.00000
获取直接链接