Ce4HoPa3P8
Alexandria ALEXAlex-ID: agm075782817 · 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
AB3C4D8_146_spg166
Ce2PaP3 CePaP2 Ho5PaP6
2025-01-10 02:10:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075782817).
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 agm075782817
data_agm075782817
_cell_length_a 8.04444
_cell_length_b 8.04444
_cell_length_c 8.04444
_cell_angle_alpha 60.03247
_cell_angle_beta 60.03247
_cell_angle_gamma 60.03247
_cell_volume 368.37705
_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
Ce1 Ce 0.00000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.00000 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Ce4 Ce 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Pa2 Pa 0.00000 0.50000 0.50000 1.00000
Pa3 Pa 0.50000 0.50000 0.00000 1.00000
P1 P 0.74771 0.25931 0.74771 1.00000
P2 P 0.25229 0.74069 0.25229 1.00000
P3 P 0.25931 0.74771 0.74771 1.00000
P4 P 0.74069 0.25229 0.25229 1.00000
P5 P 0.74771 0.74771 0.25931 1.00000
P6 P 0.25229 0.25229 0.74069 1.00000
P7 P 0.25301 0.25301 0.25301 1.00000
P8 P 0.74699 0.74699 0.74699 1.00000
获取直接链接