Y4TcPd
Alexandria ALEXAlex-ID: agm005804102 · 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
ABC4_2364_spg15
Y3Tc YPd
2023-07-31 15:33:48.189368
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804102).
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 agm005804102
data_agm005804102
_cell_length_a 6.44085
_cell_length_b 7.92493
_cell_length_c 7.95140
_cell_angle_alpha 110.48766
_cell_angle_beta 108.64327
_cell_angle_gamma 108.54355
_cell_volume 315.16663
_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
Y1 Y 0.77767 0.63841 0.76675 1.00000
Y2 Y 0.09675 0.94833 0.29771 1.00000
Y3 Y 0.72246 0.23269 0.36088 1.00000
Y4 Y 0.40240 0.70102 0.04997 1.00000
Y5 Y 0.59760 0.29898 0.95003 1.00000
Y6 Y 0.27754 0.76731 0.63912 1.00000
Y7 Y 0.90325 0.05167 0.70229 1.00000
Y8 Y 0.22233 0.36159 0.23325 1.00000
Tc1 Tc 0.24998 0.00226 0.99787 1.00000
Tc2 Tc 0.75002 0.99774 0.00213 1.00000
Pd1 Pd 0.74987 0.63580 0.36511 1.00000
Pd2 Pd 0.25013 0.36420 0.63489 1.00000
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