Y3(TmCd)2
Alexandria ALEXAlex-ID: agm003309802 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_30_spg166
YTmCd Y2Cd YTm2
2022-02-04 15:26:28.286479
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003309802).
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 agm003309802
data_agm003309802
_cell_length_a 5.35739
_cell_length_b 5.36099
_cell_length_c 8.49563
_cell_angle_alpha 108.34561
_cell_angle_beta 90.03136
_cell_angle_gamma 119.95522
_cell_volume 196.93842
_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 0.50000 0.00000 0.00000 1.00000
Y2 Y 0.65691 0.31374 0.47103 1.00000
Y3 Y 0.34309 0.68626 0.52897 1.00000
Tm1 Tm 0.92594 0.85189 0.27787 1.00000
Tm2 Tm 0.07406 0.14811 0.72213 1.00000
Cd1 Cd 0.78854 0.57691 0.86508 1.00000
Cd2 Cd 0.21146 0.42309 0.13492 1.00000
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