Ni4MoRu
Alexandria ALEXAlex-ID: agm003753441 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1931_spg63
Ni4Mo Ru
2022-04-18 18:43:37.929150
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003753441).
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 agm003753441
data_agm003753441
_cell_length_a 4.07044
_cell_length_b 6.48186
_cell_length_c 7.50543
_cell_angle_alpha 105.16768
_cell_angle_beta 90.01087
_cell_angle_gamma 128.86850
_cell_volume 145.20375
_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
Ni1 Ni 0.20908 0.95902 0.41615 1.00000
Ni2 Ni 0.04532 0.79507 0.08328 1.00000
Ni3 Ni 0.29292 0.54286 0.58385 1.00000
Ni4 Ni 0.46204 0.71179 0.91672 1.00000
Ni5 Ni 0.79092 0.04098 0.58385 1.00000
Ni6 Ni 0.70708 0.45714 0.41615 1.00000
Ni7 Ni 0.95468 0.20493 0.91672 1.00000
Ni8 Ni 0.53796 0.28821 0.08328 1.00000
Mo1 Mo 0.37446 0.62446 0.24892 1.00000
Mo2 Mo 0.62554 0.37554 0.75108 1.00000
Ru1 Ru 0.87506 0.12506 0.25013 1.00000
Ru2 Ru 0.12494 0.87494 0.74987 1.00000
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