Co2NiPt6
Alexandria ALEXAlex-ID: agm005678928 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1041_spg69
CoNiPt4 CoPt2
2023-07-06 20:49:47.227508
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678928).
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 agm005678928
data_agm005678928
_cell_length_a 3.87009
_cell_length_b 6.01680
_cell_length_c 6.14328
_cell_angle_alpha 84.18587
_cell_angle_beta 71.64003
_cell_angle_gamma 71.23984
_cell_volume 128.55498
_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 0.32872 0.50000 0.84255 1.00000
Co2 Co 0.67128 0.50000 0.15745 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Pt1 Pt 0.99100 0.18524 0.83276 1.00000
Pt2 Pt 0.32376 0.18524 0.16724 1.00000
Pt3 Pt 0.67624 0.81476 0.83276 1.00000
Pt4 Pt 0.34352 0.81297 0.50000 1.00000
Pt5 Pt 0.65648 0.18703 0.50000 1.00000
Pt6 Pt 0.00900 0.81476 0.16724 1.00000
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