Pr4In8Ni7
Alexandria ALEXAlex-ID: agm005226502 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7C8_2_spg65
PrInNi2 PrInNi5 PrIn3
2022-12-13 09:32:34.164409
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226502).
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 agm005226502
data_agm005226502
_cell_length_a 14.19264
_cell_length_b 14.19264
_cell_length_c 4.38305
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 117.20869
_cell_volume 785.18813
_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 0.18337 0.18337 0.00000 1.00000
Pr2 Pr 0.81663 0.81663 0.00000 1.00000
Pr3 Pr 0.34729 0.99551 0.00000 1.00000
Pr4 Pr 0.65271 0.00449 0.00000 1.00000
Pr5 Pr 0.99551 0.34729 0.00000 1.00000
Pr6 Pr 0.00449 0.65271 0.00000 1.00000
Pr7 Pr 0.60539 0.39461 0.50000 1.00000
Pr8 Pr 0.39461 0.60539 0.50000 1.00000
In1 In 0.18920 0.81080 0.50000 1.00000
In2 In 0.81080 0.18920 0.50000 1.00000
In3 In 0.08624 0.91376 0.00000 1.00000
In4 In 0.91376 0.08624 0.00000 1.00000
In5 In 0.87529 0.44288 0.50000 1.00000
In6 In 0.12471 0.55712 0.50000 1.00000
In7 In 0.44288 0.87529 0.50000 1.00000
In8 In 0.55712 0.12471 0.50000 1.00000
In9 In 0.00000 0.00000 0.50000 1.00000
In10 In 0.50000 0.50000 0.00000 1.00000
In11 In 0.63102 0.81870 0.50000 1.00000
In12 In 0.36898 0.18130 0.50000 1.00000
In13 In 0.81870 0.63102 0.50000 1.00000
In14 In 0.18130 0.36898 0.50000 1.00000
In15 In 0.72174 0.27826 0.00000 1.00000
In16 In 0.27826 0.72174 0.00000 1.00000
Ni1 Ni 0.19155 0.00169 0.50000 1.00000
Ni2 Ni 0.80845 0.99831 0.50000 1.00000
Ni3 Ni 0.00169 0.19155 0.50000 1.00000
Ni4 Ni 0.99831 0.80845 0.50000 1.00000
Ni5 Ni 0.69849 0.59043 0.00000 1.00000
Ni6 Ni 0.30151 0.40957 0.00000 1.00000
Ni7 Ni 0.59043 0.69849 0.00000 1.00000
Ni8 Ni 0.40957 0.30151 0.00000 1.00000
Ni9 Ni 0.62336 0.62336 0.50000 1.00000
Ni10 Ni 0.37664 0.37664 0.50000 1.00000
Ni11 Ni 0.48486 0.79152 0.00000 1.00000
Ni12 Ni 0.51514 0.20848 0.00000 1.00000
Ni13 Ni 0.79152 0.48486 0.00000 1.00000
Ni14 Ni 0.20848 0.51514 0.00000 1.00000
