Y5CuS4
Alexandria ALEXAlex-ID: agm006088091 · 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
AB4C5_503_spg12
Y6CuS5 Y2CuS
2023-10-18 04:48:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088091).
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 agm006088091
data_agm006088091
_cell_length_a 3.89690
_cell_length_b 6.89420
_cell_length_c 8.82749
_cell_angle_alpha 75.45121
_cell_angle_beta 77.24836
_cell_angle_gamma 73.58327
_cell_volume 217.31404
_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 0.19778 0.90199 0.70244 1.00000
Y2 Y 0.80222 0.09801 0.29756 1.00000
Y3 Y 0.39863 0.30439 0.89835 1.00000
Y4 Y 0.00000 0.50000 0.50000 1.00000
Y5 Y 0.60137 0.69561 0.10165 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
S1 S 0.60225 0.20163 0.59387 1.00000
S2 S 0.19919 0.39892 0.20270 1.00000
S3 S 0.80081 0.60108 0.79730 1.00000
S4 S 0.39775 0.79837 0.40613 1.00000
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