Ti2Pd4Pt5
Alexandria ALEXAlex-ID: agm005684089 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_160_spg71
Ti3PdPt8 Ti(Pd3Pt)2 TiPt3
2023-06-22 16:24:03.881460
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684089).
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 agm005684089
data_agm005684089
_cell_length_a 4.39371
_cell_length_b 6.96096
_cell_length_c 6.96090
_cell_angle_alpha 67.72716
_cell_angle_beta 71.60287
_cell_angle_gamma 71.60300
_cell_volume 182.22641
_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
Ti1 Ti 0.85571 0.14429 0.14430 1.00000
Ti2 Ti 0.14429 0.85571 0.85570 1.00000
Pd1 Pd 0.37536 0.62464 0.62464 1.00000
Pd2 Pd 1.00000 0.28329 0.71672 1.00000
Pd3 Pd 0.62464 0.37536 0.37536 1.00000
Pd4 Pd 0.00000 0.71671 0.28328 1.00000
Pt1 Pt 0.74605 0.58974 0.91816 1.00000
Pt2 Pt 0.25395 0.41026 0.08184 1.00000
Pt3 Pt 0.74606 0.91815 0.58973 1.00000
Pt4 Pt 0.50000 0.00000 0.00000 1.00000
Pt5 Pt 0.25394 0.08185 0.41027 1.00000
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