Y2PdSe
Alexandria ALEXAlex-ID: agm005754895 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2711_spg63
Y6PdSe5 YPd
2023-07-13 11:55:16.100822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754895).
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 agm005754895
data_agm005754895
_cell_length_a 4.28045
_cell_length_b 3.89133
_cell_length_c 11.53232
_cell_angle_alpha 99.71305
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 189.33619
_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 0.75000 0.68000 0.36000 1.00000
Y2 Y 0.25000 0.32000 0.64000 1.00000
Y3 Y 0.75000 0.93598 0.87197 1.00000
Y4 Y 0.25000 0.06402 0.12803 1.00000
Pd1 Pd 0.25000 0.45628 0.91256 1.00000
Pd2 Pd 0.75000 0.54372 0.08744 1.00000
Se1 Se 0.25000 0.19254 0.38508 1.00000
Se2 Se 0.75000 0.80746 0.61492 1.00000
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