Cu2Ni2Rh5
Alexandria ALEXAlex-ID: agm009802811 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_534_spg69
Cu Ni Rh
2024-04-19 09:12:51.642979
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009802811).
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 agm009802811
data_agm009802811
_cell_length_a 4.57845
_cell_length_b 4.57859
_cell_length_c 6.53037
_cell_angle_alpha 90.19278
_cell_angle_beta 90.19376
_cell_angle_gamma 120.24736
_cell_volume 118.25541
_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 0.66508 0.33495 0.00002 1.00000
Cu2 Cu 0.33492 0.66505 0.99998 1.00000
Ni1 Ni 0.33095 0.33087 0.33151 1.00000
Ni2 Ni 0.66905 0.66913 0.66849 1.00000
Rh1 Rh 0.00483 0.33348 0.66680 1.00000
Rh2 Rh 0.99517 0.66652 0.33320 1.00000
Rh3 Rh 0.33343 0.00488 0.66681 1.00000
Rh4 Rh 0.66657 0.99512 0.33319 1.00000
Rh5 Rh 0.00000 0.00000 0.00000 1.00000
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