Ce5DyP6
Alexandria ALEXAlex-ID: agm006129052 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_83_spg12
CeDy2P3 CeP
2023-09-03 13:09:55.502182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129052).
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 agm006129052
data_agm006129052
_cell_length_a 7.06035
_cell_length_b 7.06179
_cell_length_c 7.06155
_cell_angle_alpha 59.99887
_cell_angle_beta 80.40302
_cell_angle_gamma 70.52339
_cell_volume 287.45921
_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
P1 P 0.75182 0.08266 0.33164 1.00000
P2 P 0.24818 0.58570 0.33164 1.00000
P3 P 0.24922 0.24845 0.00000 1.00000
P4 P 0.75078 0.75155 1.00000 1.00000
P5 P 0.75182 0.41430 0.66836 1.00000
P6 P 0.24818 0.91734 0.66836 1.00000
Ce1 Ce 0.50000 0.16698 0.66604 1.00000
Ce2 Ce 1.00000 0.33346 0.33308 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Ce4 Ce 0.00000 0.66654 0.66692 1.00000
Ce5 Ce 0.50000 0.83302 0.33396 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
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