Co6NiPt2
Alexandria ALEXAlex-ID: agm005671597 · 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
AB2C6_734_spg12
CoNi3 Ni3Pt Co3Pt
2023-07-06 21:47:04.811028
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671597).
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 agm005671597
data_agm005671597
_cell_length_a 3.63935
_cell_length_b 5.79216
_cell_length_c 5.75353
_cell_angle_alpha 107.31300
_cell_angle_beta 108.43758
_cell_angle_gamma 90.00000
_cell_volume 109.24950
_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 0.37970 0.82409 0.75939 1.00000
Co2 Co 0.62030 0.17591 0.24061 1.00000
Co3 Co 0.72576 0.82768 0.45153 1.00000
Co4 Co 0.17344 0.50060 0.34688 1.00000
Co5 Co 0.27424 0.17232 0.54847 1.00000
Co6 Co 0.82656 0.49940 0.65312 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.94239 0.17310 0.88478 1.00000
Pt2 Pt 0.05761 0.82690 0.11522 1.00000
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