TiPd3Rh
Alexandria ALEXAlex-ID: agm005751686 · 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
ABC3_8990_spg15
Ti2Pd5Rh TiPd5 TiRh3
2023-07-06 03:15:00.526014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751686).
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 agm005751686
data_agm005751686
_cell_length_a 4.80627
_cell_length_b 4.80627
_cell_length_c 8.66034
_cell_angle_alpha 63.87294
_cell_angle_beta 116.12709
_cell_angle_gamma 108.14355
_cell_volume 159.53931
_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 0.70764 0.70764 0.25000 1.00000
Ti2 Ti 0.29236 0.29236 0.75000 1.00000
Pd1 Pd 0.69388 0.28377 0.09765 1.00000
Pd2 Pd 0.28377 0.69388 0.40235 1.00000
Pd3 Pd 0.71623 0.30612 0.59765 1.00000
Pd4 Pd 0.30612 0.71623 0.90235 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
Pd6 Pd 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.31173 0.31173 0.25000 1.00000
Rh2 Rh 0.68827 0.68827 0.75000 1.00000
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