NpSc6Ru5
Alexandria ALEXAlex-ID: agm006136353 · 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
AB5C6_178_spg10
NpSc5Ru6 Sc3Ru2 Np
2023-09-06 04:37:23.863137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136353).
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 agm006136353
data_agm006136353
_cell_length_a 4.56834
_cell_length_b 6.67742
_cell_length_c 7.35617
_cell_angle_alpha 90.00007
_cell_angle_beta 108.22940
_cell_angle_gamma 90.00001
_cell_volume 213.13584
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.82467 0.73823 0.64839 1.00000
Sc2 Sc 0.82467 0.26176 0.64839 1.00000
Sc3 Sc 0.50000 0.28107 1.00000 1.00000
Sc4 Sc 0.50000 0.71893 0.00000 1.00000
Sc5 Sc 0.17533 0.73824 0.35161 1.00000
Sc6 Sc 0.17533 0.26177 0.35161 1.00000
Ru1 Ru 0.66666 0.50000 0.33410 1.00000
Ru2 Ru 0.35140 1.00000 0.70045 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Ru4 Ru 0.64860 0.00000 0.29955 1.00000
Ru5 Ru 0.33334 0.50000 0.66590 1.00000
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