Y3TmCd
Alexandria ALEXAlex-ID: agm005774701 · 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
ABC3_6235_spg63
Y5Tm Y2Cd YTm2
2023-07-06 05:13:48.469528
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774701).
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 agm005774701
data_agm005774701
_cell_length_a 3.64751
_cell_length_b 5.47965
_cell_length_c 14.93170
_cell_angle_alpha 89.12011
_cell_angle_beta 97.01561
_cell_angle_gamma 90.00000
_cell_volume 296.17147
_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 0.05094 0.26984 0.10189 1.00000
Y2 Y 0.94906 0.73016 0.89811 1.00000
Y3 Y 0.33832 0.74303 0.67663 1.00000
Y4 Y 0.66168 0.25697 0.32337 1.00000
Y5 Y 0.12948 0.76024 0.25896 1.00000
Y6 Y 0.87052 0.23976 0.74104 1.00000
Tm1 Tm 0.73343 0.75133 0.46687 1.00000
Tm2 Tm 0.26657 0.24867 0.53313 1.00000
Cd1 Cd 0.53913 0.77313 0.07826 1.00000
Cd2 Cd 0.46087 0.22687 0.92174 1.00000
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