Ti6PdN
Alexandria ALEXAlex-ID: agm003762425 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_301_spg2
Ti3Pd Ti2N Ti
2022-04-20 05:21:47.275026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003762425).
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 agm003762425
data_agm003762425
_cell_length_a 4.73812
_cell_length_b 5.37849
_cell_length_c 5.26379
_cell_angle_alpha 82.80055
_cell_angle_beta 91.48294
_cell_angle_gamma 67.33639
_cell_volume 122.40429
_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 0.05774 0.33960 0.79976 1.00000
Ti2 Ti 0.79040 0.95150 0.67170 1.00000
Ti3 Ti 0.59213 0.24314 0.10933 1.00000
Ti4 Ti 0.20960 0.04850 0.32830 1.00000
Ti5 Ti 0.94226 0.66040 0.20024 1.00000
Ti6 Ti 0.40787 0.75686 0.89067 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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