Pm12Dy7Sc
Alexandria ALEXAlex-ID: agm005778901 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_35_spg166
Pm3Dy5 Pm Sc
2023-07-16 09:13:45.942367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778901).
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 agm005778901
data_agm005778901
_cell_length_a 6.17220
_cell_length_b 11.47486
_cell_length_c 11.47486
_cell_angle_alpha 116.85790
_cell_angle_beta 100.32877
_cell_angle_gamma 100.32877
_cell_volume 681.20038
_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 0.08681 0.58678 0.17387 1.00000
Pm2 Pm 0.08706 0.17387 0.58709 1.00000
Pm3 Pm 0.58064 0.64718 0.00024 1.00000
Pm4 Pm 0.41960 0.00024 0.35306 1.00000
Pm5 Pm 0.49997 0.41291 0.58678 1.00000
Pm6 Pm 0.06654 0.64694 0.64718 1.00000
Pm7 Pm 0.93346 0.35306 0.35282 1.00000
Pm8 Pm 0.50003 0.58709 0.41322 1.00000
Pm9 Pm 0.58040 0.99976 0.64694 1.00000
Pm10 Pm 0.41936 0.35282 0.99976 1.00000
Pm11 Pm 0.91294 0.82613 0.41291 1.00000
Pm12 Pm 0.91319 0.41322 0.82613 1.00000
Dy1 Dy 0.12007 0.75893 0.00033 1.00000
Dy2 Dy 0.88026 0.00033 0.24140 1.00000
Dy3 Dy 0.63886 0.75860 0.75893 1.00000
Dy4 Dy 0.50000 0.00000 0.00000 1.00000
Dy5 Dy 0.36114 0.24140 0.24107 1.00000
Dy6 Dy 0.11974 0.99967 0.75860 1.00000
Dy7 Dy 0.87993 0.24107 0.99967 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
