Np8Al21Ir11
Alexandria ALEXAlex-ID: agm009715069 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
A8B11C21_0_spg21
Al6Ir5 Al21Ir8 Np
2024-05-28 07:16:31.641332
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009715069).
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 agm009715069
data_agm009715069
_cell_length_a 11.21694
_cell_length_b 11.21694
_cell_length_c 5.71253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.84192
_cell_volume 718.74688
_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
Np1 Np 0.72912 0.92410 0.73446 1.00000
Np2 Np 0.27088 0.07590 0.73446 1.00000
Np3 Np 0.23037 0.57091 0.24725 1.00000
Np4 Np 0.76963 0.42909 0.24725 1.00000
Np5 Np 0.42909 0.76963 0.75275 1.00000
Np6 Np 0.57091 0.23037 0.75275 1.00000
Np7 Np 0.07590 0.27088 0.26554 1.00000
Np8 Np 0.92410 0.72912 0.26554 1.00000
Al1 Al 0.00000 0.50000 0.50893 1.00000
Al2 Al 0.50000 0.00000 0.00303 1.00000
Al3 Al 0.00000 0.50000 0.99697 1.00000
Al4 Al 0.50000 0.00000 0.49107 1.00000
Al5 Al 0.81889 0.18111 0.50000 1.00000
Al6 Al 0.18111 0.81889 0.50000 1.00000
Al7 Al 0.32615 0.32615 0.00000 1.00000
Al8 Al 0.67385 0.67385 0.00000 1.00000
Al9 Al 0.67095 0.67095 0.50000 1.00000
Al10 Al 0.32905 0.32905 0.50000 1.00000
Al11 Al 0.82508 0.17492 0.00000 1.00000
Al12 Al 0.17492 0.82508 0.00000 1.00000
Al13 Al 0.97234 0.81155 0.76997 1.00000
Al14 Al 0.02766 0.18845 0.76997 1.00000
Al15 Al 0.47131 0.68097 0.25055 1.00000
Al16 Al 0.52869 0.31903 0.25055 1.00000
Al17 Al 0.31903 0.52869 0.74945 1.00000
Al18 Al 0.68097 0.47131 0.74945 1.00000
Al19 Al 0.18845 0.02766 0.23003 1.00000
Al20 Al 0.81155 0.97234 0.23003 1.00000
Al21 Al 0.00000 0.00000 0.50000 1.00000
Ir1 Ir 0.85278 0.62462 0.74888 1.00000
Ir2 Ir 0.14722 0.37538 0.74888 1.00000
Ir3 Ir 0.35594 0.87419 0.24618 1.00000
Ir4 Ir 0.64406 0.12581 0.24618 1.00000
Ir5 Ir 0.12581 0.64406 0.75382 1.00000
Ir6 Ir 0.87419 0.35594 0.75382 1.00000
Ir7 Ir 0.37538 0.14722 0.25112 1.00000
Ir8 Ir 0.62462 0.85278 0.25112 1.00000
Ir9 Ir 0.50000 0.50000 0.00000 1.00000
Ir10 Ir 0.50000 0.50000 0.50000 1.00000
Ir11 Ir 0.00000 0.00000 0.00000 1.00000
