Pm11Cd9Ru4
Alexandria ALEXAlex-ID: agm005718655 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_1_spg65
Pm11Cd9Ru4
2023-07-11 06:40:22.479805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005718655).
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 agm005718655
data_agm005718655
_cell_length_a 3.84995
_cell_length_b 13.16467
_cell_length_c 13.16467
_cell_angle_alpha 112.60726
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 615.96120
_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
Pm1 Pm 0.00000 0.58244 0.91484 1.00000
Pm2 Pm 0.00000 0.41756 0.08516 1.00000
Pm3 Pm 0.00000 0.91484 0.58244 1.00000
Pm4 Pm 0.00000 0.08516 0.41756 1.00000
Pm5 Pm 0.00000 0.62717 0.37283 1.00000
Pm6 Pm 0.00000 0.37283 0.62717 1.00000
Pm7 Pm 0.00000 0.83857 0.16143 1.00000
Pm8 Pm 0.00000 0.16143 0.83857 1.00000
Pm9 Pm 0.00000 0.00000 0.00000 1.00000
Pm10 Pm 0.00000 0.69063 0.69063 1.00000
Pm11 Pm 0.00000 0.30937 0.30937 1.00000
Cd1 Cd 0.50000 0.63362 0.15722 1.00000
Cd2 Cd 0.50000 0.36638 0.84278 1.00000
Cd3 Cd 0.50000 0.15722 0.63362 1.00000
Cd4 Cd 0.50000 0.84278 0.36638 1.00000
Cd5 Cd 0.50000 0.78309 0.92514 1.00000
Cd6 Cd 0.50000 0.21691 0.07486 1.00000
Cd7 Cd 0.50000 0.92514 0.78309 1.00000
Cd8 Cd 0.50000 0.07486 0.21691 1.00000
Cd9 Cd 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.50000 0.54690 0.74683 1.00000
Ru2 Ru 0.50000 0.45310 0.25317 1.00000
Ru3 Ru 0.50000 0.74683 0.54690 1.00000
Ru4 Ru 0.50000 0.25317 0.45310 1.00000
