Co3PdRh
Alexandria ALEXAlex-ID: agm005804341 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5318_spg166
Co CoPd3 Rh
2023-07-03 09:36:43.354641
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804341).
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 agm005804341
data_agm005804341
_cell_length_a 4.84730
_cell_length_b 4.84730
_cell_length_c 6.94750
_cell_angle_alpha 69.58286
_cell_angle_beta 69.58286
_cell_angle_gamma 60.00000
_cell_volume 129.39376
_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
Co1 Co 0.10990 0.61993 0.65024 1.00000
Co2 Co 0.61993 0.10990 0.65024 1.00000
Co3 Co 0.38007 0.38007 0.34976 1.00000
Co4 Co 0.38007 0.89010 0.34976 1.00000
Co5 Co 0.89010 0.38007 0.34976 1.00000
Co6 Co 0.61993 0.61993 0.65024 1.00000
Pd1 Pd 0.33543 0.33543 0.99370 1.00000
Pd2 Pd 0.66457 0.66457 0.00630 1.00000
Rh1 Rh 0.06877 0.06877 0.79370 1.00000
Rh2 Rh 0.93123 0.93123 0.20630 1.00000
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