Y4Cu2P5
Alexandria ALEXAlex-ID: agm006209643 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_58_spg59
Y(CuP)2 YP
2023-11-05 10:15:51.451057
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209643).
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 agm006209643
data_agm006209643
_cell_length_a 4.01838
_cell_length_b 7.05917
_cell_length_c 15.08684
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 427.95902
_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 0.77606 0.00002 1.00000
Y2 Y 0.75000 0.77606 0.49998 1.00000
Y3 Y 0.25000 0.22394 0.50002 1.00000
Y4 Y 0.25000 0.22394 0.99998 1.00000
Y5 Y 0.75000 0.14458 0.75000 1.00000
Y6 Y 0.25000 0.85542 0.25000 1.00000
Y7 Y 0.75000 0.67326 0.75000 1.00000
Y8 Y 0.25000 0.32674 0.25000 1.00000
P1 P 0.75000 0.08839 0.12944 1.00000
P2 P 0.75000 0.08839 0.37056 1.00000
P3 P 0.25000 0.91161 0.62944 1.00000
P4 P 0.25000 0.91161 0.87056 1.00000
P5 P 0.75000 0.41409 0.59396 1.00000
P6 P 0.75000 0.41409 0.90604 1.00000
P7 P 0.25000 0.58591 0.09396 1.00000
P8 P 0.25000 0.58591 0.40604 1.00000
P9 P 0.75000 0.59093 0.25000 1.00000
P10 P 0.25000 0.40907 0.75000 1.00000
Cu1 Cu 0.75000 0.42226 0.11199 1.00000
Cu2 Cu 0.75000 0.42226 0.38801 1.00000
Cu3 Cu 0.25000 0.57774 0.61199 1.00000
Cu4 Cu 0.25000 0.57774 0.88801 1.00000
