Nb2Cr4Si5
Alexandria ALEXAlex-ID: agm005239606 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_36_spg72
Nb2Cr4Si5
2023-05-09 07:42:21.287844
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239606).
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 agm005239606
data_agm005239606
_cell_length_a 9.32203
_cell_length_b 9.32203
_cell_length_c 9.32203
_cell_angle_alpha 148.12239
_cell_angle_beta 132.83942
_cell_angle_gamma 58.05371
_cell_volume 311.25139
_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
Nb1 Nb 0.30883 0.05883 0.75000 1.00000
Nb2 Nb 0.69117 0.94117 0.25000 1.00000
Nb3 Nb 0.69117 0.44117 0.75000 1.00000
Nb4 Nb 0.30883 0.55883 0.25000 1.00000
Cr1 Cr 0.69067 0.44059 0.25009 1.00000
Cr2 Cr 0.30933 0.55941 0.74991 1.00000
Cr3 Cr 0.98093 0.35964 0.62128 1.00000
Cr4 Cr 0.80950 0.05941 0.75009 1.00000
Cr5 Cr 0.01907 0.64036 0.37872 1.00000
Cr6 Cr 0.73836 0.85964 0.87872 1.00000
Cr7 Cr 0.26164 0.14036 0.12128 1.00000
Cr8 Cr 0.19050 0.94059 0.24991 1.00000
Si1 Si 0.47166 0.06026 0.41139 1.00000
Si2 Si 0.60877 0.29895 0.30982 1.00000
Si3 Si 0.01088 0.20105 0.80982 1.00000
Si4 Si 0.98912 0.79895 0.19018 1.00000
Si5 Si 0.52834 0.93974 0.58861 1.00000
Si6 Si 0.00000 0.25000 0.25000 1.00000
Si7 Si 0.64887 0.56026 0.08861 1.00000
Si8 Si 0.35113 0.43974 0.91139 1.00000
Si9 Si 0.00000 0.75000 0.75000 1.00000
Si10 Si 0.39123 0.70105 0.69018 1.00000
