Ce6Al22Ni13
Alexandria ALEXAlex-ID: agm009547653 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A6B13C22_0_spg12
Al4Ni3 CeAl5Ni2 CeAl3Ni2
2024-06-04 00:37:55.126883
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009547653).
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 agm009547653
data_agm009547653
_cell_length_a 12.90372
_cell_length_b 12.90372
_cell_length_c 13.56768
_cell_angle_alpha 68.25487
_cell_angle_beta 68.25487
_cell_angle_gamma 18.28835
_cell_volume 657.10070
_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 0.45022 0.45022 0.20424 1.00000
Ce2 Ce 0.83999 0.83999 0.03126 1.00000
Ce3 Ce 0.54978 0.54978 0.79576 1.00000
Ce4 Ce 0.16001 0.16001 0.96874 1.00000
Ce5 Ce 0.82111 0.82111 0.58274 1.00000
Ce6 Ce 0.17889 0.17889 0.41726 1.00000
Al1 Al 0.31826 0.31826 0.23409 1.00000
Al2 Al 0.87359 0.87359 0.33783 1.00000
Al3 Al 0.68174 0.68174 0.76591 1.00000
Al4 Al 0.43959 0.43959 0.99368 1.00000
Al5 Al 0.85711 0.85711 0.78301 1.00000
Al6 Al 0.72771 0.72771 0.24575 1.00000
Al7 Al 0.23602 0.23602 0.58183 1.00000
Al8 Al 0.41273 0.41273 0.45372 1.00000
Al9 Al 0.05497 0.05497 0.43194 1.00000
Al10 Al 0.95585 0.95585 0.82921 1.00000
Al11 Al 0.76398 0.76398 0.41817 1.00000
Al12 Al 0.71183 0.71183 0.06683 1.00000
Al13 Al 0.56041 0.56041 0.00632 1.00000
Al14 Al 0.28817 0.28817 0.93317 1.00000
Al15 Al 0.27229 0.27229 0.75425 1.00000
Al16 Al 0.94503 0.94503 0.56806 1.00000
Al17 Al 0.58727 0.58727 0.54628 1.00000
Al18 Al 0.52796 0.52796 0.32534 1.00000
Al19 Al 0.12641 0.12641 0.66217 1.00000
Al20 Al 0.47204 0.47204 0.67466 1.00000
Al21 Al 0.14289 0.14289 0.21699 1.00000
Al22 Al 0.04415 0.04415 0.17079 1.00000
Ni1 Ni 0.61706 0.61706 0.34547 1.00000
Ni2 Ni 0.89974 0.89974 0.13547 1.00000
Ni3 Ni 0.03214 0.03214 0.63265 1.00000
Ni4 Ni 0.39661 0.39661 0.85543 1.00000
Ni5 Ni 0.10026 0.10026 0.86453 1.00000
Ni6 Ni 0.24947 0.24947 0.13503 1.00000
Ni7 Ni 0.00000 0.00000 0.00000 1.00000
Ni8 Ni 0.32077 0.32077 0.41334 1.00000
Ni9 Ni 0.67923 0.67923 0.58666 1.00000
Ni10 Ni 0.38294 0.38294 0.65453 1.00000
Ni11 Ni 0.96786 0.96786 0.36735 1.00000
Ni12 Ni 0.75053 0.75053 0.86497 1.00000
Ni13 Ni 0.60339 0.60339 0.14457 1.00000
