Ni2RuPt3
Alexandria ALEXAlex-ID: agm005706433 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_906_spg65
RuPt NiPt
2023-08-29 17:58:55.957652
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706433).
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 agm005706433
data_agm005706433
_cell_length_a 3.84503
_cell_length_b 6.10327
_cell_length_c 7.48358
_cell_angle_alpha 90.00112
_cell_angle_beta 90.00356
_cell_angle_gamma 71.63933
_cell_volume 166.67862
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.00000 0.00000 0.50000 1.00000
Ni3 Ni 0.33394 0.33212 0.50000 1.00000
Ni4 Ni 0.66606 0.66788 0.50000 1.00000
Ru1 Ru 0.32954 0.34091 0.00000 1.00000
Ru2 Ru 0.67046 0.65909 0.00000 1.00000
Pt1 Pt 0.83492 0.33081 0.74349 1.00000
Pt2 Pt 0.49968 0.00000 0.25236 1.00000
Pt3 Pt 0.16508 0.66919 0.25651 1.00000
Pt4 Pt 0.83426 0.33081 0.25651 1.00000
Pt5 Pt 0.16574 0.66919 0.74349 1.00000
Pt6 Pt 0.50032 0.00000 0.74764 1.00000
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