CoRe5Ni3
Alexandria ALEXAlex-ID: agm072735344 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1240_spg1
ReNi4 Co3Ni Re3Ni
2024-09-24 03:38:46.863079
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072735344).
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 agm072735344
data_agm072735344
_cell_length_a 4.61191
_cell_length_b 4.62783
_cell_length_c 6.63224
_cell_angle_alpha 103.37589
_cell_angle_beta 83.46803
_cell_angle_gamma 120.21205
_cell_volume 119.00668
_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 0.56364 0.35684 0.09619 1.00000
Re1 Re 0.23475 0.25387 0.77008 1.00000
Re2 Re 0.22668 0.70193 0.09422 1.00000
Re3 Re 0.89606 0.80007 0.43352 1.00000
Re4 Re 0.88573 0.02010 0.09209 1.00000
Re5 Re 0.23662 0.47841 0.42785 1.00000
Ni1 Ni 0.89074 0.57357 0.76589 1.00000
Ni2 Ni 0.56372 0.93036 0.76290 1.00000
Ni3 Ni 0.56763 0.14148 0.42986 1.00000
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