Cr2Co2Ni7
Alexandria ALEXAlex-ID: agm005572040 · 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
A2B2C7_241_spg12
CoNi3 Co3Ni CrNi2
2023-06-04 07:02:59.958748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572040).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005572040
data_agm005572040
_cell_length_a 4.63889
_cell_length_b 5.93314
_cell_length_c 4.63889
_cell_angle_alpha 81.95385
_cell_angle_beta 92.89100
_cell_angle_gamma 81.95386
_cell_volume 124.85617
_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
Cr1 Cr 0.60601 0.66167 0.60601 1.00000
Cr2 Cr 0.39399 0.33833 0.39399 1.00000
Co1 Co 0.68806 1.00000 0.31194 1.00000
Co2 Co 0.31194 0.00000 0.68806 1.00000
Ni1 Ni 0.91041 0.30940 0.53349 1.00000
Ni2 Ni 0.46651 0.69060 0.08959 1.00000
Ni3 Ni 0.08959 0.69060 0.46651 1.00000
Ni4 Ni 0.53349 0.30940 0.91041 1.00000
Ni5 Ni 0.00000 0.50000 0.00000 1.00000
Ni6 Ni 0.16108 0.07404 0.16108 1.00000
Ni7 Ni 0.83892 0.92596 0.83892 1.00000
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