Yb10Cd2Cu4H
Alexandria ALEXAlex-ID: agm073034834 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D10_65_spg121
Yb5CdCu2 YbCd YbH2 YbCu
2024-10-29 14:56:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073034834).
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}
}
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# CIF generated by HEAS from Alexandria entry agm073034834
data_agm073034834
_cell_length_a 8.93179
_cell_length_b 8.93179
_cell_length_c 8.93179
_cell_angle_alpha 127.92849
_cell_angle_beta 127.92849
_cell_angle_gamma 76.74090
_cell_volume 430.52072
_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
Yb1 Yb 0.55288 0.55288 0.31970 1.00000
Yb2 Yb 0.44712 0.76682 0.00000 1.00000
Yb3 Yb 0.23318 0.23318 0.68030 1.00000
Yb4 Yb 0.76682 0.44712 0.00000 1.00000
Yb5 Yb 0.27556 0.27556 0.32874 1.00000
Yb6 Yb 0.72444 0.05318 0.00000 1.00000
Yb7 Yb 0.94682 0.94682 0.67126 1.00000
Yb8 Yb 0.05318 0.72444 0.00000 1.00000
Yb9 Yb 0.75000 0.25000 0.50000 1.00000
Yb10 Yb 0.25000 0.75000 0.50000 1.00000
Cd1 Cd 0.50000 0.00000 0.50000 1.00000
Cd2 Cd 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.87194 0.87194 0.24211 1.00000
Cu2 Cu 0.12806 0.37017 0.00000 1.00000
Cu3 Cu 0.62983 0.62983 0.75789 1.00000
Cu4 Cu 0.37017 0.12806 0.00000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
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