Y8CuAg2
Alexandria ALEXAlex-ID: agm003528014 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
YCu Y YAg
2022-03-15 03:34:24.186699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528014).
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
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# CIF generated by HEAS from Alexandria entry agm003528014
data_agm003528014
_cell_length_a 5.21066
_cell_length_b 6.86447
_cell_length_c 9.24434
_cell_angle_alpha 105.92375
_cell_angle_beta 106.36945
_cell_angle_gamma 90.00000
_cell_volume 304.00489
_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 0.40908 0.55276 0.81815 1.00000
Y2 Y 0.66242 0.97396 0.32485 1.00000
Y3 Y 0.80003 0.68507 0.60005 1.00000
Y4 Y 0.97181 0.21541 0.94361 1.00000
Y5 Y 0.19997 0.31493 0.39995 1.00000
Y6 Y 0.33758 0.02604 0.67515 1.00000
Y7 Y 0.59092 0.44724 0.18185 1.00000
Y8 Y 0.02819 0.78459 0.05639 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.81534 0.27572 0.63067 1.00000
Ag2 Ag 0.18466 0.72428 0.36933 1.00000
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