Nd4CdRu2
Alexandria ALEXAlex-ID: agm003458095 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1492_spg5
Nd11Cd9Ru4 Nd7Ru3 NdRu2
2022-03-01 05:19:28.963700
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458095).
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 agm003458095
data_agm003458095
_cell_length_a 9.29832
_cell_length_b 9.30188
_cell_length_c 7.45693
_cell_angle_alpha 125.20921
_cell_angle_beta 110.12187
_cell_angle_gamma 105.25676
_cell_volume 395.26952
_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
Nd1 Nd 0.86275 0.89888 0.03465 1.00000
Nd2 Nd 0.38137 0.65611 0.25601 1.00000
Nd3 Nd 0.87472 0.41006 0.53310 1.00000
Nd4 Nd 0.82905 0.24706 0.84854 1.00000
Nd5 Nd 0.39721 0.05129 0.22349 1.00000
Nd6 Nd 0.40061 0.19731 0.81661 1.00000
Nd7 Nd 0.36674 0.51183 0.68926 1.00000
Nd8 Nd 0.82366 0.75010 0.38208 1.00000
Cd1 Cd 0.17147 0.70686 0.53707 1.00000
Cd2 Cd 0.16037 0.19601 0.03605 1.00000
Ru1 Ru 0.66945 0.45540 0.80278 1.00000
Ru2 Ru 0.65184 0.93745 0.26819 1.00000
Ru3 Ru 0.57916 0.48326 0.40241 1.00000
Ru4 Ru 0.08159 0.24837 0.66976 1.00000
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