Y3MgCu2
Alexandria ALEXAlex-ID: agm033147204 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_6703_spg62
Y2MgCu2 Y2Mg YCu
2025-04-14 04:17:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033147204).
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 agm033147204
data_agm033147204
_cell_length_a 3.89204
_cell_length_b 11.87093
_cell_length_c 12.35397
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 570.77952
_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 0.02111 0.86329 1.00000
Y2 Y 0.25000 0.97889 0.13671 1.00000
Y3 Y 0.25000 0.47889 0.36329 1.00000
Y4 Y 0.75000 0.52111 0.63671 1.00000
Y5 Y 0.75000 0.24157 0.15017 1.00000
Y6 Y 0.25000 0.75843 0.84983 1.00000
Y7 Y 0.25000 0.25843 0.65017 1.00000
Y8 Y 0.75000 0.74157 0.34983 1.00000
Y9 Y 0.75000 0.31658 0.86787 1.00000
Y10 Y 0.25000 0.68342 0.13213 1.00000
Y11 Y 0.25000 0.18342 0.36787 1.00000
Y12 Y 0.75000 0.81658 0.63213 1.00000
Mg1 Mg 0.75000 0.07689 0.55510 1.00000
Mg2 Mg 0.25000 0.92311 0.44490 1.00000
Mg3 Mg 0.25000 0.42311 0.05510 1.00000
Mg4 Mg 0.75000 0.57689 0.94490 1.00000
Cu1 Cu 0.75000 0.50849 0.18690 1.00000
Cu2 Cu 0.25000 0.49151 0.81310 1.00000
Cu3 Cu 0.25000 0.99151 0.68690 1.00000
Cu4 Cu 0.75000 0.00849 0.31310 1.00000
Cu5 Cu 0.75000 0.32070 0.48003 1.00000
Cu6 Cu 0.25000 0.67930 0.51997 1.00000
Cu7 Cu 0.25000 0.17930 0.98003 1.00000
Cu8 Cu 0.75000 0.82070 0.01997 1.00000
