Ce(Y2Cu)4
Alexandria ALEXAlex-ID: agm097900753 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_640_spg1
YCu Ce Y
2025-06-21 09:35:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097900753).
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 agm097900753
data_agm097900753
_cell_length_a 3.65779
_cell_length_b 11.06119
_cell_length_c 9.39527
_cell_angle_alpha 64.83162
_cell_angle_beta 101.23294
_cell_angle_gamma 99.52091
_cell_volume 335.98623
_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
Ce1 Ce 0.61612 0.99530 0.08242 1.00000
Y1 Y 0.81319 0.18928 0.28399 1.00000
Y2 Y 0.03720 0.71122 0.20869 1.00000
Y3 Y 0.65566 0.56684 0.59032 1.00000
Y4 Y 0.49042 0.19552 0.63127 1.00000
Y5 Y 0.23332 0.88752 0.42645 1.00000
Y6 Y 0.40210 0.46928 0.18068 1.00000
Y7 Y 0.18510 0.30402 0.91188 1.00000
Y8 Y 0.38145 0.77185 0.83756 1.00000
Cu1 Cu 0.00085 0.99108 0.85714 1.00000
Cu2 Cu 0.80327 0.52539 0.92629 1.00000
Cu3 Cu 0.01768 0.41984 0.46025 1.00000
Cu4 Cu 0.86363 0.97287 0.60307 1.00000
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