Cu4NiRh2
Alexandria ALEXAlex-ID: agm005879880 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2632_spg43
Cu Ni Rh
2023-10-14 10:02:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005879880).
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
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# CIF generated by HEAS from Alexandria entry agm005879880
data_agm005879880
_cell_length_a 5.88675
_cell_length_b 8.77817
_cell_length_c 4.72417
_cell_angle_alpha 77.91945
_cell_angle_beta 51.42777
_cell_angle_gamma 70.38715
_cell_volume 179.78620
_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
Cu1 Cu 0.13660 0.34030 0.50092 1.00000
Cu2 Cu 0.65427 0.25010 0.87958 1.00000
Cu3 Cu 0.97820 0.65978 0.49834 1.00000
Cu4 Cu 0.65444 0.24987 0.37950 1.00000
Cu5 Cu 0.28382 0.75009 0.62089 1.00000
Cu6 Cu 0.78388 0.74989 0.12073 1.00000
Cu7 Cu 0.22675 0.15961 0.00102 1.00000
Cu8 Cu 0.38787 0.84044 0.99865 1.00000
Ni1 Ni 0.70623 0.49985 0.50062 1.00000
Ni2 Ni 0.95616 0.00001 0.00039 1.00000
Rh1 Rh 0.55412 0.52865 0.10505 1.00000
Rh2 Rh 0.18666 0.47149 0.89469 1.00000
Rh3 Rh 0.83259 0.97140 0.60499 1.00000
Rh4 Rh 0.40839 0.02852 0.39463 1.00000
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