Tc(Ni3Pt)2
Alexandria ALEXAlex-ID: agm005654050 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1748_spg15
Ni3Pt Tc3Pt Ni
2023-07-08 22:58:52.428525
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654050).
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 agm005654050
data_agm005654050
_cell_length_a 5.73374
_cell_length_b 8.70688
_cell_length_c 5.73413
_cell_angle_alpha 65.29006
_cell_angle_beta 93.08305
_cell_angle_gamma 65.29257
_cell_volume 227.00985
_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
Tc1 Tc 0.91035 0.75000 0.08963 1.00000
Tc2 Tc 0.08965 0.25000 0.91037 1.00000
Ni1 Ni 0.24002 0.42781 0.51981 1.00000
Ni2 Ni 0.48020 0.07218 0.75998 1.00000
Ni3 Ni 0.75998 0.57219 0.48019 1.00000
Ni4 Ni 0.51980 0.92782 0.24002 1.00000
Ni5 Ni 0.14430 0.07333 0.41282 1.00000
Ni6 Ni 0.58718 0.42667 0.85570 1.00000
Ni7 Ni 0.85570 0.92667 0.58718 1.00000
Ni8 Ni 0.41282 0.57333 0.14430 1.00000
Ni9 Ni 0.18037 0.93108 0.91071 1.00000
Ni10 Ni 0.08929 0.56892 0.81964 1.00000
Ni11 Ni 0.81963 0.06892 0.08929 1.00000
Ni12 Ni 0.91071 0.43108 0.18036 1.00000
Pt1 Pt 0.23905 0.74630 0.42405 1.00000
Pt2 Pt 0.57592 0.75370 0.76092 1.00000
Pt3 Pt 0.76095 0.25370 0.57595 1.00000
Pt4 Pt 0.42408 0.24630 0.23908 1.00000
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