Co3Ni5N
Alexandria ALEXAlex-ID: agm072249145 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1069_spg12
CoNi3 Ni3N Co3Ni
2024-09-24 16:17:52.646167
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072249145).
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 agm072249145
data_agm072249145
_cell_length_a 5.11012
_cell_length_b 5.11012
_cell_length_c 4.41914
_cell_angle_alpha 72.97123
_cell_angle_beta 72.97123
_cell_angle_gamma 59.82663
_cell_volume 93.89646
_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 0.12087 0.12087 0.47282 1.00000
Co2 Co 0.13384 0.61300 0.47447 1.00000
Co3 Co 0.61300 0.13384 0.47447 1.00000
Ni1 Ni 0.61222 0.61222 0.48256 1.00000
Ni2 Ni 0.87576 0.87576 0.98359 1.00000
Ni3 Ni 0.36472 0.36472 0.99756 1.00000
Ni4 Ni 0.87330 0.35693 0.99075 1.00000
Ni5 Ni 0.35693 0.87330 0.99075 1.00000
N1 N 0.74702 0.74702 0.72952 1.00000
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