Pr15Mg2Ni5
Alexandria ALEXAlex-ID: agm007985488 · 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
A2B5C15_2_spg160
Pr15Mg2Ni5
2025-01-01 17:56:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007985488).
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 agm007985488
data_agm007985488
_cell_length_a 15.67551
_cell_length_b 15.67551
_cell_length_c 15.67551
_cell_angle_alpha 37.30256
_cell_angle_beta 37.30256
_cell_angle_gamma 37.30256
_cell_volume 1268.22798
_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
Pr1 Pr 0.67922 0.67922 0.05992 1.00000
Pr2 Pr 0.05992 0.67922 0.67922 1.00000
Pr3 Pr 0.67922 0.05992 0.67922 1.00000
Pr4 Pr 0.82920 0.82920 0.21496 1.00000
Pr5 Pr 0.21496 0.82920 0.82920 1.00000
Pr6 Pr 0.82920 0.21496 0.82920 1.00000
Pr7 Pr 0.67674 0.67674 0.28975 1.00000
Pr8 Pr 0.28975 0.67674 0.67674 1.00000
Pr9 Pr 0.67674 0.28975 0.67674 1.00000
Pr10 Pr 0.52157 0.52157 0.15636 1.00000
Pr11 Pr 0.15636 0.52157 0.52157 1.00000
Pr12 Pr 0.52157 0.15636 0.52157 1.00000
Pr13 Pr 0.20544 0.20544 0.57628 1.00000
Pr14 Pr 0.57628 0.20544 0.20544 1.00000
Pr15 Pr 0.20544 0.57628 0.20544 1.00000
Pr16 Pr 0.38324 0.38324 0.00564 1.00000
Pr17 Pr 0.00564 0.38324 0.38324 1.00000
Pr18 Pr 0.38324 0.00564 0.38324 1.00000
Pr19 Pr 0.24318 0.24318 0.86316 1.00000
Pr20 Pr 0.86316 0.24318 0.24318 1.00000
Pr21 Pr 0.24318 0.86316 0.24318 1.00000
Pr22 Pr 0.91838 0.91838 0.29473 1.00000
Pr23 Pr 0.29473 0.91838 0.91838 1.00000
Pr24 Pr 0.91838 0.29473 0.91838 1.00000
Pr25 Pr 0.05896 0.05896 0.44279 1.00000
Pr26 Pr 0.44279 0.05896 0.05896 1.00000
Pr27 Pr 0.05896 0.44279 0.05896 1.00000
Pr28 Pr 0.88682 0.88682 0.88682 1.00000
Pr29 Pr 0.73591 0.73591 0.73591 1.00000
Pr30 Pr 0.47760 0.47760 0.47760 1.00000
Mg1 Mg 0.56074 0.56074 0.87751 1.00000
Mg2 Mg 0.87751 0.56074 0.56074 1.00000
Mg3 Mg 0.56074 0.87751 0.56074 1.00000
Mg4 Mg 0.60756 0.60756 0.60756 1.00000
Ni1 Ni 0.36808 0.36808 0.80074 1.00000
Ni2 Ni 0.80074 0.36808 0.36808 1.00000
Ni3 Ni 0.36808 0.80074 0.36808 1.00000
Ni4 Ni 0.06627 0.06627 0.63008 1.00000
Ni5 Ni 0.63008 0.06627 0.06627 1.00000
Ni6 Ni 0.06627 0.63008 0.06627 1.00000
Ni7 Ni 0.91249 0.91249 0.48404 1.00000
Ni8 Ni 0.48404 0.91249 0.91249 1.00000
Ni9 Ni 0.91249 0.48404 0.91249 1.00000
Ni10 Ni 0.99946 0.99946 0.99946 1.00000
