Ce4Sc8Ni15As16
Alexandria ALEXAlex-ID: agm018795014 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B8C15D16_0_spg6
Ce4Sc8Ni15As16
2024-12-13 13:39:28.786343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018795014).
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 agm018795014
data_agm018795014
_cell_length_a 9.29336
_cell_length_b 3.94457
_cell_length_c 19.60689
_cell_angle_alpha 90.00000
_cell_angle_beta 97.32018
_cell_angle_gamma 90.00000
_cell_volume 712.89796
_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 0.36530 0.00000 0.62696 1.00000
Ce2 Ce 0.35917 0.00000 0.12181 1.00000
Ce3 Ce 0.62331 0.50000 0.87170 1.00000
Ce4 Ce 0.63998 0.50000 0.37750 1.00000
Sc1 Sc 0.12171 0.00000 0.94710 1.00000
Sc2 Sc 0.12546 0.00000 0.44819 1.00000
Sc3 Sc 0.88075 0.50000 0.55410 1.00000
Sc4 Sc 0.87193 0.50000 0.04996 1.00000
Sc5 Sc 0.15610 0.00000 0.77463 1.00000
Sc6 Sc 0.14016 0.00000 0.27187 1.00000
Sc7 Sc 0.86141 0.50000 0.72846 1.00000
Sc8 Sc 0.85820 0.50000 0.22738 1.00000
Ni1 Ni 0.88444 0.00000 0.84078 1.00000
Ni2 Ni 0.88229 0.00000 0.34222 1.00000
Ni3 Ni 0.12119 0.50000 0.65887 1.00000
Ni4 Ni 0.11573 0.50000 0.15790 1.00000
Ni5 Ni 0.60495 0.00000 0.50986 1.00000
Ni6 Ni 0.59866 0.00000 0.00956 1.00000
Ni7 Ni 0.39259 0.50000 0.99041 1.00000
Ni8 Ni 0.39959 0.50000 0.49091 1.00000
Ni9 Ni 0.70802 0.00000 0.63982 1.00000
Ni10 Ni 0.70340 0.00000 0.13929 1.00000
Ni11 Ni 0.29194 0.50000 0.86246 1.00000
Ni12 Ni 0.29511 0.50000 0.36099 1.00000
Ni13 Ni 0.43165 0.00000 0.29854 1.00000
Ni14 Ni 0.56828 0.50000 0.70290 1.00000
Ni15 Ni 0.56680 0.50000 0.20086 1.00000
As1 As 0.97438 0.00000 0.65239 1.00000
As2 As 0.96751 0.00000 0.14936 1.00000
As3 As 0.03065 0.50000 0.84978 1.00000
As4 As 0.03058 0.50000 0.35000 1.00000
As5 As 0.81812 0.00000 0.95492 1.00000
As6 As 0.82790 0.00000 0.45921 1.00000
As7 As 0.17887 0.50000 0.54310 1.00000
As8 As 0.17024 0.50000 0.04137 1.00000
As9 As 0.66502 0.00000 0.76143 1.00000
As10 As 0.66601 0.00000 0.26072 1.00000
As11 As 0.33761 0.50000 0.74263 1.00000
As12 As 0.33246 0.50000 0.23893 1.00000
As13 As 0.40587 0.00000 0.91400 1.00000
As14 As 0.41009 0.00000 0.41838 1.00000
As15 As 0.59371 0.50000 0.58278 1.00000
As16 As 0.58825 0.50000 0.08092 1.00000
