Y2Er3Cd4
Alexandria ALEXAlex-ID: agm003334366 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_75_spg64
YErCd2 Er2Cd YCd
2022-01-30 06:18:37.902303
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003334366).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003334366
data_agm003334366
_cell_length_a 6.68998
_cell_length_b 8.04940
_cell_length_c 9.84902
_cell_angle_alpha 90.00000
_cell_angle_beta 109.85413
_cell_angle_gamma 90.00000
_cell_volume 498.84779
_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 0.09292 0.59980 0.18584 1.00000
Y2 Y 0.90708 0.40020 0.81416 1.00000
Y3 Y 0.40708 0.09980 0.81416 1.00000
Y4 Y 0.59292 0.90020 0.18584 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.50000 0.50000 0.00000 1.00000
Er3 Er 0.50573 0.75000 0.51147 1.00000
Er4 Er 0.99427 0.25000 0.48853 1.00000
Er5 Er 0.49427 0.25000 0.48853 1.00000
Er6 Er 0.00573 0.75000 0.51147 1.00000
Cd1 Cd 0.67535 0.75000 0.85070 1.00000
Cd2 Cd 0.82465 0.25000 0.14930 1.00000
Cd3 Cd 0.32465 0.25000 0.14930 1.00000
Cd4 Cd 0.17535 0.75000 0.85070 1.00000
Cd5 Cd 0.16074 0.97982 0.32147 1.00000
Cd6 Cd 0.83926 0.02018 0.67853 1.00000
Cd7 Cd 0.33926 0.47982 0.67853 1.00000
Cd8 Cd 0.66074 0.52018 0.32147 1.00000
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