Pr2CrSi8Ni17
Alexandria ALEXAlex-ID: agm020463515 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8D17_0_spg69
PrSi4Ni9 PrSi2Ni9 Cr3Si PrSi3Ni5
2024-12-04 13:04:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020463515).
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 agm020463515
data_agm020463515
_cell_length_a 7.97466
_cell_length_b 7.99560
_cell_length_c 7.87308
_cell_angle_alpha 60.33062
_cell_angle_beta 60.59582
_cell_angle_gamma 59.07357
_cell_volume 354.82931
_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 0.25000 0.25000 0.25000 1.00000
Pr2 Pr 0.75000 0.75000 0.75000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.70548 0.05605 0.94395 1.00000
Si2 Si 0.05605 0.70548 0.29452 1.00000
Si3 Si 0.21283 0.55470 0.78717 1.00000
Si4 Si 0.55470 0.21283 0.44530 1.00000
Si5 Si 0.29452 0.94395 0.05605 1.00000
Si6 Si 0.94395 0.29452 0.70548 1.00000
Si7 Si 0.78717 0.44530 0.21283 1.00000
Si8 Si 0.44530 0.78717 0.55470 1.00000
Ni1 Ni 0.44331 0.18663 0.81337 1.00000
Ni2 Ni 0.18663 0.44331 0.55669 1.00000
Ni3 Ni 0.94779 0.68403 0.05221 1.00000
Ni4 Ni 0.68403 0.94779 0.31597 1.00000
Ni5 Ni 0.55669 0.81337 0.18663 1.00000
Ni6 Ni 0.81337 0.55669 0.44331 1.00000
Ni7 Ni 0.05221 0.31597 0.94779 1.00000
Ni8 Ni 0.31597 0.05221 0.68403 1.00000
Ni9 Ni 0.70644 0.29356 0.06715 1.00000
Ni10 Ni 0.29356 0.70644 0.93285 1.00000
Ni11 Ni 0.20375 0.79625 0.43260 1.00000
Ni12 Ni 0.79625 0.20375 0.56740 1.00000
Ni13 Ni 0.43260 0.56740 0.20375 1.00000
Ni14 Ni 0.56740 0.43260 0.79625 1.00000
Ni15 Ni 0.06715 0.93285 0.70644 1.00000
Ni16 Ni 0.93285 0.06715 0.29356 1.00000
Ni17 Ni 0.50000 0.50000 0.50000 1.00000
