Y4Cu2Sn
Alexandria ALEXAlex-ID: agm003458337 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_905_spg9
Y5Sn3 YCu Y
2022-02-17 07:24:20.875274
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458337).
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 agm003458337
data_agm003458337
_cell_length_a 8.69188
_cell_length_b 8.69194
_cell_length_c 6.92911
_cell_angle_alpha 107.97623
_cell_angle_beta 107.97708
_cell_angle_gamma 120.45304
_cell_volume 353.52552
_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 0.03347 0.27308 0.43740 1.00000
Y2 Y 0.41029 0.50186 0.25268 1.00000
Y3 Y 0.86630 0.56264 0.58895 1.00000
Y4 Y 0.75188 0.16031 0.75271 1.00000
Y5 Y 0.34210 0.01739 0.22249 1.00000
Y6 Y 0.26739 0.09207 0.72249 1.00000
Y7 Y 0.52308 0.78347 0.93735 1.00000
Y8 Y 0.81263 0.61631 0.08894 1.00000
Cu1 Cu 0.46811 0.39686 0.61421 1.00000
Cu2 Cu 0.81762 0.89623 0.46021 1.00000
Cu3 Cu 0.64688 0.21813 0.11423 1.00000
Cu4 Cu 0.14624 0.56762 0.96019 1.00000
Sn1 Sn 0.21986 0.69412 0.42405 1.00000
Sn2 Sn 0.94416 0.96990 0.92410 1.00000
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